11839291 -OEChem-05102421222D 52 55 0 0 0 0 0 0 0999 V2000 7.7864 1.3628 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -0.7532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 2.7477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.8535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4531 -4.5796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5871 -3.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -0.5796 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 1.0264 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 2.1490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3761 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -1.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 0.3683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4251 -0.3009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 1.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 0.1604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 0.0082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6851 0.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 1.7695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 2.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -2.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -3.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.8716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -3.0796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -3.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 3.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.7851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 3.7670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4531 -3.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 -0.9073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 0.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2525 0.5124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5838 -0.1834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3207 1.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 1.4608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 -1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 1.6474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 -3.3896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -4.1996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 2.6655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 5.2867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 3.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6002 3.7022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0484 4.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 4.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 5.4560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9162 -4.8896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 19 1 0 0 0 0 2 15 2 0 0 0 0 3 19 2 0 0 0 0 4 21 2 0 0 0 0 5 33 1 0 0 0 0 5 52 1 0 0 0 0 6 33 2 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 19 1 0 0 0 0 9 21 1 0 0 0 0 9 23 1 0 0 0 0 9 42 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 11 20 1 0 0 0 0 11 22 2 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 34 1 0 0 0 0 14 21 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 18 2 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 20 24 2 0 0 0 0 20 40 1 0 0 0 0 22 26 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 23 28 2 0 0 0 0 24 27 1 0 0 0 0 24 33 1 0 0 0 0 25 29 2 0 0 0 0 25 30 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 28 31 1 0 0 0 0 28 45 1 0 0 0 0 29 32 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 M END > 11839291 > 1 > 831 > 6 > 2 > 6 > AAADceB7OABAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB0AAAHgQQCAAADAjB3gQ+yJPMEgioAzX3XACCgCB1AjAI2CG4bNgIZvLAlbGUcQhk1iHI2Ye8yCCOAAAAQAACAAAAAACAAAQAAAAAAAAAAA== > 3-[2-[(Z)-[3-[2-(2-methylanilino)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 3-[2-[(Z)-[3-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-1-pyrrolyl]benzoic acid > 3-[2-[(Z)-[3-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 3-[2-[(Z)-[3-[2-(2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 3-[2-[(Z)-[3-[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 3-[2-[(Z)-[2,4-diketo-3-[2-keto-2-(o-toluidino)ethyl]thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > InChI=1S/C24H19N3O5S/c1-15-6-2-3-10-19(15)25-21(28)14-27-22(29)20(33-24(27)32)13-18-9-5-11-26(18)17-8-4-7-16(12-17)23(30)31/h2-13H,14H2,1H3,(H,25,28)(H,30,31)/b20-13- > RATSDBSYQJWTGX-MOSHPQCFSA-N > 3.6 > 461.10454189 > C24H19N3O5S > 461.5 > CC1=CC=CC=C1NC(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=CC(=C4)C(=O)O)SC2=O > CC1=CC=CC=C1NC(=O)CN2C(=O)/C(=C/C3=CC=CN3C4=CC=CC(=C4)C(=O)O)/SC2=O > 134 > 461.10454189 > 0 > 33 > 0 > 0 > 1 > 0 > 0 > 1 > 2 > 1 5 255 > 10 17 8 11 20 8 11 22 8 16 18 8 17 18 8 20 24 8 22 26 8 23 25 8 23 28 8 24 27 8 25 29 8 26 27 8 28 31 8 29 32 8 31 32 8 7 10 8 7 16 8 $$$$