17178486 -OEChem-03192404402D 49 51 0 0 0 0 0 0 0999 V2000 4.6783 -1.2307 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -2.1580 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 2.0736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 1.5355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -3.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -3.0241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.2920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.4260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.2920 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0740 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.4260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 1.3292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.2920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.1580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.0241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 0.6566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.0337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 1.0490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.8183 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.5086 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.9010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 0.1109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0719 -0.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2211 2.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8244 3.6134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0424 3.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -3.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -3.5610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -0.7551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3819 -3.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.4041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 17 1 0 0 0 0 2 19 2 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 18 2 0 0 0 0 5 21 2 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 28 2 0 0 0 0 8 17 1 0 0 0 0 8 19 1 0 0 0 0 8 38 1 0 0 0 0 9 19 1 0 0 0 0 9 21 1 0 0 0 0 9 39 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 26 1 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 M END > 17178486 > 1 > 651 > 7 > 2 > 6 > AAADceB7OABgAAAAAAAAAAAAAAAAASAAAAAwYAAAAAAAAEgBwAAAHgQQAAAADACB2AIziYLABAiMAiHSWACDAIBlCBkIiBEATMiIJjrgtZmEMYhuwQNo6eeYyPCOwAAAAAAAAACAAAAAAAgAAAAAAAAAAA== > methyl 2-[(4-methoxycarbonylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate > 2-[[[[(4-methoxycarbonylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester > methyl 2-[(4-methoxycarbonylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > methyl 2-[(4-methoxycarbonylbenzoyl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > methyl 2-[(4-methoxycarbonylphenyl)carbonylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate > 2-[(4-carbomethoxybenzoyl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester > InChI=1S/C20H20N2O5S2/c1-26-18(24)12-9-7-11(8-10-12)16(23)21-20(28)22-17-15(19(25)27-2)13-5-3-4-6-14(13)29-17/h7-10H,3-6H2,1-2H3,(H2,21,22,23,28) > MNOWJCRUSNITCT-UHFFFAOYSA-N > 4.5 > 432.08136409 > C20H20N2O5S2 > 432.5 > COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC > COC(=O)C1=CC=C(C=C1)C(=O)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC > 154 > 432.08136409 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 15 8 1 17 8 13 15 8 13 16 8 16 17 8 22 23 8 22 24 8 23 26 8 24 27 8 25 26 8 25 27 8 $$$$