40990883 -OEChem-05042413462D 55 58 0 0 0 0 0 0 0999 V2000 7.9675 1.7678 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 -0.3482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5714 3.2585 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 3.1527 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 -4.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 -4.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3662 -0.1746 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3848 1.4314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 2.5540 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5572 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 1.5359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 3.4675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8630 0.7733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3662 -1.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6061 0.1041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 0.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 3.5721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 4.2766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1752 0.4132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8662 1.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 2.4495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0540 2.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8662 1.3642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 -1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 -1.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 4.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 5.1901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 4.1720 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7688 5.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5002 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 -2.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3662 -3.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3662 -4.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7887 1.3859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4336 0.9174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4772 -0.5023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7649 0.2216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5018 1.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6246 2.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2306 1.8658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9632 -1.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7692 -1.3646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5644 4.5504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 5.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4984 3.1275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6356 2.2615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5016 2.3986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0998 3.5554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 4.1072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2294 4.7886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5167 5.8610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9632 -2.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7692 -2.9846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2322 -5.2946 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 16 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 14 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 9 12 1 0 0 0 0 9 21 1 0 0 0 0 9 40 1 0 0 0 0 10 15 1 0 0 0 0 10 20 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 17 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 3 0 0 0 13 16 1 0 0 0 0 14 24 2 0 0 0 0 14 25 1 0 0 0 0 15 37 1 0 0 0 0 17 26 1 0 0 0 0 17 28 1 0 0 0 0 18 27 2 0 0 0 0 18 29 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 39 1 0 0 0 0 23 41 1 0 0 0 0 24 31 1 0 0 0 0 24 42 1 0 0 0 0 25 32 2 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 30 1 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 29 51 1 0 0 0 0 30 52 1 0 0 0 0 31 33 2 0 0 0 0 31 53 1 0 0 0 0 32 33 1 0 0 0 0 32 54 1 0 0 0 0 33 34 1 0 0 0 0 M END > 40990883 > 1 > 844 > 6 > 2 > 6 > AAADceB7OABAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB0AAAHgQQCAAADAjB3gQ+yJPMEgioAzX3XACCgCB1AjAI2CG4bNgIZvLAlbGUcQhk1iHI2YeY2WOeCAACAAACAAAQAAQAAAQAAAAAAAAAAA== > 4-[2-[[3-[2-(2,6-dimethylanilino)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-1-pyrrolyl]benzoic acid > 4-[2-[[3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-(2,6-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > 4-[2-[[3-[2-(2,6-dimethylanilino)-2-keto-ethyl]-2,4-diketo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid > InChI=1S/C25H21N3O5S/c1-15-5-3-6-16(2)22(15)26-21(29)14-28-23(30)20(34-25(28)33)13-19-7-4-12-27(19)18-10-8-17(9-11-18)24(31)32/h3-13H,14H2,1-2H3,(H,26,29)(H,31,32) > COEXWVQAFOXYRW-UHFFFAOYSA-N > 4 > 475.12019195 > C25H21N3O5S > 475.5 > CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)SC2=O > CC1=C(C(=CC=C1)C)NC(=O)CN2C(=O)C(=CC3=CC=CN3C4=CC=C(C=C4)C(=O)O)SC2=O > 134 > 475.12019195 > 0 > 34 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 10 20 8 12 17 8 12 18 8 13 15 1 14 24 8 14 25 8 17 26 8 18 27 8 19 23 8 20 23 8 24 31 8 25 32 8 26 30 8 27 30 8 31 33 8 32 33 8 7 10 8 7 19 8 $$$$