40990887 -OEChem-04162402012D 54 57 0 0 0 0 0 0 0999 V2000 7.7864 1.0010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2970 -1.1150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 2.4917 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6650 2.3859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -5.4414 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 9.3191 -5.4414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -0.9414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2038 0.6646 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8080 1.7872 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3761 -0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2092 0.7691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6819 0.0065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -1.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4251 -0.6626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7038 -0.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9942 -0.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6851 0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 2.7008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 4.4233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6851 0.5974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 1.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 1.4078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 4.5278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 3.5098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -2.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 2.8053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3191 -3.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0512 -3.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 5.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -3.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 5.4414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1851 -4.9414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6077 0.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2525 0.1507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2962 -1.2691 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5838 -0.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3207 1.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0496 1.0990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6056 3.4450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4436 1.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -2.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 -2.1314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 2.3037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 3.7836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6717 4.8679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5345 5.7339 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6685 5.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7822 -3.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5881 -3.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7474 5.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9289 6.0078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6146 5.1892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 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 6 34 2 0 0 0 0 7 10 1 0 0 0 0 7 13 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 14 2 3 0 0 0 12 15 1 0 0 0 0 13 25 2 0 0 0 0 13 26 1 0 0 0 0 14 37 1 0 0 0 0 16 20 2 0 0 0 0 16 38 1 0 0 0 0 17 20 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 23 2 0 0 0 0 19 24 1 0 0 0 0 19 31 1 0 0 0 0 20 40 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 32 2 0 0 0 0 29 50 1 0 0 0 0 30 32 1 0 0 0 0 30 51 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 32 34 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 CHG 1 5 -1 M END > 40990887 > 1 > 848 > 6 > 1 > 5 > AAADceB7OABAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAAAB0AAAHgQQAAAADAjB3gQ+yJPMEAioAzX3XACCgCB1AjAI2CG4bNgIZvLAlbGUMQhk1iHIyYeY2aOeiAAAQAAQAAAQAACAACAAAAAAAAAAAA== > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoate > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]-1-pyrrolyl]benzoate > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoate > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoate > 4-[2-[[3-[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoate > 4-[2-[[3-[2-(3,4-dimethylanilino)-2-keto-ethyl]-2,4-diketo-thiazolidin-5-ylidene]methyl]pyrrol-1-yl]benzoate > 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)/p-1 > HJQXBGPSLPGUFJ-UHFFFAOYSA-M > 4.6 > 474.11236692 > C25H20N3O5S- > 474.5 > 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 > 137 > 474.11236692 > -1 > 34 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 10 17 8 12 14 1 13 25 8 13 26 8 16 20 8 17 20 8 18 24 8 18 27 8 19 23 8 19 24 8 23 28 8 25 29 8 26 30 8 27 28 8 29 32 8 30 32 8 7 10 8 7 16 8 $$$$