6520605 -OEChem-05042407022D 55 57 0 1 0 0 0 0 0999 V2000 6.3776 1.0249 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 3.0953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0413 1.6636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5358 2.8432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -5.0683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5468 2.6341 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 4.5657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9535 3.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.4317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5686 2.4262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.7681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9480 3.6522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 4.6702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -3.5683 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.9371 3.8612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9316 3.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7560 5.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.0683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3383 4.8793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7506 5.6883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5194 3.1568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.5683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9968 4.1661 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3519 3.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 1.2417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9904 5.0673 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6849 3.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3916 6.0854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -3.6053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -2.7583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0201 -2.5314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9549 4.9441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0027 6.2547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0178 2.7923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8838 2.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0210 3.5212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -1.0314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2583 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -2.1053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -5.6883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 24 1 0 0 0 0 3 19 1 0 0 0 0 3 33 1 0 0 0 0 4 14 2 0 0 0 0 5 17 2 0 0 0 0 6 20 2 0 0 0 0 7 32 1 0 0 0 0 7 55 1 0 0 0 0 8 32 2 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 17 1 0 0 0 0 10 20 1 0 0 0 0 10 23 1 0 0 0 0 10 40 1 0 0 0 0 11 20 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 15 1 0 0 0 0 13 18 2 0 0 0 0 13 21 1 0 0 0 0 15 36 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 21 22 2 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 28 1 0 0 0 0 24 32 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 29 1 0 0 0 0 26 31 1 0 0 0 0 27 30 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 28 46 1 0 0 0 0 29 30 2 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 31 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 > 6520605 > 1 > 802 > 8 > 2 > 8 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHgQQCAAADBzh2AYyzoPABgiIAiXSWAKCCABhIhAIiAHO7MgNZiLEsb+WeCrk1jHL6YeQwBAOIAABQAAAQABAAAKAAACAAAAAAAAAAA== > 2-[2-methoxy-4-[(Z)-[3-[2-(3-methylanilino)-2-oxo-ethyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid > 2-[2-methoxy-4-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-5-thiazolidinylidene]methyl]phenoxy]propanoic acid > 2-[2-methoxy-4-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid > 2-[2-methoxy-4-[(Z)-[3-[2-(3-methylanilino)-2-oxoethyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid > 2-[2-methoxy-4-[(Z)-[3-[2-[(3-methylphenyl)amino]-2-oxidanylidene-ethyl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]propanoic acid > 2-[4-[(Z)-[2,4-diketo-3-[2-keto-2-(m-toluidino)ethyl]thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]propionic acid > InChI=1S/C23H22N2O7S/c1-13-5-4-6-16(9-13)24-20(26)12-25-21(27)19(33-23(25)30)11-15-7-8-17(18(10-15)31-3)32-14(2)22(28)29/h4-11,14H,12H2,1-3H3,(H,24,26)(H,28,29)/b19-11- > IOMQXOKVXRECFX-ODLFYWEKSA-N > 3.6 > 470.11477222 > C23H22N2O7S > 470.5 > CC1=CC(=CC=C1)NC(=O)CN2C(=O)C(=CC3=CC(=C(C=C3)OC(C)C(=O)O)OC)SC2=O > CC1=CC(=CC=C1)NC(=O)CN2C(=O)/C(=C/C3=CC(=C(C=C3)OC(C)C(=O)O)OC)/SC2=O > 148 > 470.11477222 > 0 > 33 > 0 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 18 8 13 21 8 16 19 8 16 22 8 18 19 8 21 22 8 23 25 8 23 27 8 24 28 3 25 26 8 26 29 8 27 30 8 29 30 8 $$$$