40989387 -OEChem-05082401102D 51 53 0 1 0 0 0 0 0999 V2000 10.7648 1.6865 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6920 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7817 -0.6929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1497 2.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.8080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.1920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2429 1.0284 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.3080 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2375 0.9239 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.8252 1.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6442 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5738 0.2853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8198 1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7429 1.8944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -2.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8730 0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9961 2.3289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2680 2.0047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0778 -0.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8964 -0.5561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2106 0.2625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7550 1.0118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4364 1.5636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8846 2.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -0.9980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.6180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.7829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 0.5020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.1180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.3120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 30 1 0 0 0 0 3 12 2 0 0 0 0 4 14 2 0 0 0 0 5 18 1 0 0 0 0 5 23 1 0 0 0 0 6 24 2 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 47 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 1 0 0 0 9 31 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 15 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 24 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 48 1 0 0 0 0 27 29 2 0 0 0 0 27 49 1 0 0 0 0 28 30 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 51 1 0 0 0 0 M END > 40989387 > 1 > 678 > 6 > 1 > 7 > AAADceB7OQBAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAAABQAAAHwQQAAAADCzh2A4yxoPABAiIAiVSUAKCCABhIhAIiABObMgOJiLEsZ+HOCjk1jHY6YeQwCAOAAAAAAAIAAAAAAAAABAAAAAAAAAAAA== > N-(4-fluorophenyl)-2-[2-[(E)-[3-[(1R)-1-methylpropyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]acetamide > 2-[2-[(E)-[3-[(2R)-butan-2-yl]-2,4-dioxo-5-thiazolidinylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide > 2-[2-[(E)-[3-[(2R)-butan-2-yl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide > 2-[2-[(E)-[3-[(2R)-butan-2-yl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide > 2-[2-[(E)-[3-[(2R)-butan-2-yl]-2,4-bis(oxidanylidene)-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)ethanamide > 2-[2-[(E)-[2,4-diketo-3-[(1R)-1-methylpropyl]thiazolidin-5-ylidene]methyl]phenoxy]-N-(4-fluorophenyl)acetamide > InChI=1S/C22H21FN2O4S/c1-3-14(2)25-21(27)19(30-22(25)28)12-15-6-4-5-7-18(15)29-13-20(26)24-17-10-8-16(23)9-11-17/h4-12,14H,3,13H2,1-2H3,(H,24,26)/b19-12+/t14-/m1/s1 > GFIMLZRVJLRYTD-ONDHQXCVSA-N > 4.7 > 428.12060649 > C22H21FN2O4S > 428.5 > CCC(C)N1C(=O)C(=CC2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)F)SC1=O > CC[C@@H](C)N1C(=O)/C(=C\C2=CC=CC=C2OCC(=O)NC3=CC=C(C=C3)F)/SC1=O > 101 > 428.12060649 > 0 > 30 > 1 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 17 18 8 17 19 8 18 20 8 19 21 8 20 22 8 21 22 8 25 26 8 25 27 8 26 28 8 27 29 8 28 30 8 29 30 8 9 11 5 $$$$