Mrv1652309092212472D 29 33 0 0 0 0 999 V2000 3.5464 -2.9021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8217 -2.5080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8006 -1.6833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5043 -1.2527 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2291 -1.6468 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9328 -1.2162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9117 -0.3915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1870 0.0027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4832 -0.4279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7585 -0.0338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6154 0.0391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5944 0.8639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3402 -0.3550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4055 0.4674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9749 1.1711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2078 0.6595 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5240 1.4215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6384 -0.0442 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4495 -0.1951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7244 -0.9729 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1882 -1.5999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3771 -1.4491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1022 -0.6712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3613 -1.1797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6575 -1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8496 -2.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3134 -3.0396 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 -2.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9882 -1.7159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 4 9 1 0 0 0 0 9 10 2 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 18 23 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 24 25 2 0 0 0 0 6 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 28 29 1 0 0 0 0 24 29 1 0 0 0 0 M END > NP0283501 > NP-MRD > CSCC1=NC2=C(NC1=O)C(C)C1(C(=O)N(C)C3=CC=CC=C13)C1=C2C(=O)CC1 > InChI=1S/C22H21N3O3S/c1-11-18-19(23-14(10-29-3)20(27)24-18)17-13(8-9-16(17)26)22(11)12-6-4-5-7-15(12)25(2)21(22)28/h4-7,11H,8-10H2,1-3H3,(H,24,27) > NRFFIDZDMKFXMS-UHFFFAOYSA-N > C22H21N3O3S > 407.49 > 407.130362722 > 4 > 50 > 43.52204532380189 > 1 > 1 > 0 > 1 > 1',5-dimethyl-2-[(methylsulfanyl)methyl]-1',2',3,4,5,7,8,9-octahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione > 1.4694826520000013 > 0 > 5 > 0 > 19.809526806259605 > 10.099512731032231 > -2.4407471894598283 > 78.84 > 114.0965 > 2 > 1 > 1',5-dimethyl-2-[(methylsulfanyl)methyl]-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione > 0 > NP0283501 > 1',5-dimethyl-2-[(methylsulfanyl)methyl]-4,5,7,8-tetrahydrospiro[cyclopenta[f]quinoxaline-6,3'-indole]-2',3,9-trione $$$$