40990888 -OEChem-04262414052D 55 58 0 0 0 0 0 0 0999 V2000 7.7864 1.3110 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -0.8050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.8017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 2.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -5.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -5.1314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -0.6314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 0.9746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 2.0972 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3761 -0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 1.0791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -1.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 0.3165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4251 -0.3526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 0.1086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 -0.0436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.0108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6851 0.9074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.7333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 1.9927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 1.7178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.8379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.8198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -2.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 3.1153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -3.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 5.5423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 5.7514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -4.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 0.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2525 0.4607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 -0.9591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5838 -0.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3207 1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 1.4090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 3.7550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 1.5956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -1.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 -1.8214 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 2.6137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 4.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 -3.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 5.1779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 6.0439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6685 5.9068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 6.0036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 6.3178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 5.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -5.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 15 2 0 0 0 0 3 21 2 0 0 0 0 4 22 2 0 0 0 0 5 34 1 0 0 0 0 5 55 1 0 0 0 0 6 34 2 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 22 1 0 0 0 0 9 18 1 0 0 0 0 9 21 1 0 0 0 0 9 42 1 0 0 0 0 10 14 1 0 0 0 0 10 17 2 0 0 0 0 11 21 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 25 2 0 0 0 0 12 26 1 0 0 0 0 13 14 2 3 0 0 0 13 15 1 0 0 0 0 14 37 1 0 0 0 0 16 19 2 0 0 0 0 16 38 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 24 2 0 0 0 0 18 27 1 0 0 0 0 19 40 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 20 32 1 0 0 0 0 23 28 1 0 0 0 0 23 33 1 0 0 0 0 24 41 1 0 0 0 0 25 29 1 0 0 0 0 25 43 1 0 0 0 0 26 30 2 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 29 31 2 0 0 0 0 29 47 1 0 0 0 0 30 31 1 0 0 0 0 30 48 1 0 0 0 0 31 34 1 0 0 0 0 32 49 1 0 0 0 0 32 50 1 0 0 0 0 32 51 1 0 0 0 0 33 52 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 M END > 40990888 > 1 > 854 > 6 > 2 > 6 > AAADceB7OABAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB0AAAHgQQCAAADAjB3gQ+yJPMEgioAzX3XACCgCB1AjAI2CG4bNgIZvLAlbGUcQhk1iHI2YeY2aOeiAAAQAAQAAAQAACAACAAAAAAAAAAAA== > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-1-pyrrolyl]benzoic acid > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-keto-ethyl]-2,4-diketo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > InChI=1S/C25H21N3O5S/c1-15-5-8-18(12-16(15)2)26-22(29)14-28-23(30)21(34-25(28)33)13-20-4-3-11-27(20)19-9-6-17(7-10-19)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32) > HJQXBGPSLPGUFJ-UHFFFAOYSA-N > 4 > 475.12019195 > C25H21N3O5S > 475.5 > CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)SC2=O)C > CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)SC2=O)C > 134 > 475.12019195 > 0 > 34 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 10 17 8 12 25 8 12 26 8 13 14 1 16 19 8 17 19 8 18 24 8 18 27 8 20 23 8 20 24 8 23 28 8 25 29 8 26 30 8 27 28 8 29 31 8 30 31 8 7 10 8 7 16 8 $$$$