2291709 -OEChem-03282417442D 48 49 0 0 0 0 0 0 0999 V2000 2.2005 -4.6307 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.8556 1.9571 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9326 0.3693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1678 2.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.6126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6326 0.6699 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 4.6307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 -1.1307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 0.3693 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -1.1307 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.1646 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4736 1.9571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6646 1.3693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 2.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4247 1.6481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 3.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -0.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1189 2.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 4.4216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9326 -2.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9326 -1.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8620 2.6773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -3.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0665 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7986 -4.1307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9326 -4.6307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2540 3.3527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1168 4.2188 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2508 4.0816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2016 0.0593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8278 1.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6075 1.6265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 -1.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5518 4.6934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8236 5.0176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2769 2.2166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3228 3.0922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4472 3.1381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5296 -2.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 -2.8207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 4.9337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 4.2523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 3.7005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3355 -4.4407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9326 -5.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 18 2 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 6 16 2 0 0 0 0 7 17 2 0 0 0 0 8 22 2 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 9 33 1 0 0 0 0 10 18 1 0 0 0 0 10 22 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 14 17 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 20 26 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 21 25 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 27 1 0 0 0 0 24 42 1 0 0 0 0 25 28 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 M END > 2291709 > 1 > 636 > 7 > 2 > 8 > AAADceB7OABgEAAAAAAAAAAAAAAAASAAAAAwAAAAAAAAAAABwAAAHgRQAAABrACh2AIziYLABAiMAiHSWACDAIBlCB0IiBEATOiIJjrgtZmGMYhuwQNo6/eYvwqOgAAAEAAAAAAAAAAgAAAAAAAAAAAAAA== > diethyl 5-[(3-bromobenzoyl)carbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate > 5-[[[[(3-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester > diethyl 5-[(3-bromobenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate > diethyl 5-[(3-bromobenzoyl)carbamothioylamino]-3-methylthiophene-2,4-dicarboxylate > diethyl 5-[(3-bromophenyl)carbonylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate > 5-[(3-bromobenzoyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester > InChI=1S/C19H19BrN2O5S2/c1-4-26-17(24)13-10(3)14(18(25)27-5-2)29-16(13)22-19(28)21-15(23)11-7-6-8-12(20)9-11/h6-9H,4-5H2,1-3H3,(H2,21,22,23,28) > JUGFZYKYTYWIGF-UHFFFAOYSA-N > 5.4 > 497.99188 > C19H19BrN2O5S2 > 499.4 > CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=CC=C2)Br > CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NC(=O)C2=CC(=CC=C2)Br > 154 > 497.99188 > 0 > 29 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 14 8 12 13 8 2 13 8 2 14 8 21 24 8 21 25 8 24 27 8 25 28 8 27 29 8 28 29 8 $$$$