Mrv1652309082204552D 25 26 0 0 1 0 999 V2000 3.2300 -3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -3.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.3032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5802 -3.2387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8502 -4.0183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3101 -4.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7700 -5.2655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2300 -5.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4170 -6.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7107 -7.1189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0870 -6.5788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2835 -6.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 -7.5259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1406 -7.4555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0465 -6.6520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6599 -6.2258 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4080 -5.8188 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6604 -4.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2004 -3.5505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0106 -3.7064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2806 -4.4860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5507 -3.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3608 -3.2387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9009 -2.6151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6308 -4.0183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 5 4 1 1 0 0 0 5 6 1 0 0 0 0 6 7 3 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 12 16 1 0 0 0 0 11 17 1 0 0 0 0 8 17 1 0 0 0 0 5 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 M END > NP0260697 > NP-MRD > CC(C)CC(=O)OC[C@H](OC(C)=O)C#CC1=CC=C(S1)C1=CC=CS1 > InChI=1S/C19H20O4S2/c1-13(2)11-19(21)22-12-15(23-14(3)20)6-7-16-8-9-18(25-16)17-5-4-10-24-17/h4-5,8-10,13,15H,11-12H2,1-3H3/t15-/m1/s1 > IPCJKRNSTDIJDY-OAHLLOKOSA-N > C19H20O4S2 > 376.49 > 376.080301472 > 2 > 45 > 40.9255909199316 > 1 > 0 > 0 > 1 > (2R)-2-(acetyloxy)-4-{[2,2'-bithiophene]-5-yl}but-3-yn-1-yl 3-methylbutanoate > 4.697740391666668 > 0 > 2 > 0 > 19.11671067729129 > -6.7412907289499735 > 52.6 > 95.24789999999997 > 10 > 1 > (2R)-2-(acetyloxy)-4-{[2,2'-bithiophene]-5-yl}but-3-yn-1-yl 3-methylbutanoate > 0 > NP0260697 > (2r)-2-(acetyloxy)-4-{[2,2'-bithiophen]-5-yl}but-3-yn-1-yl 3-methylbutanoate $$$$