4851599 -OEChem-04252409452D 62 65 0 0 0 0 0 0 0999 V2000 4.6783 1.2377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.2619 3.8971 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 16.6279 2.5311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.8959 3.5311 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.0311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3717 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.2990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 0.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -2.6326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -3.4296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 -0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3819 1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 -0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -4.2071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -4.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -3.5871 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 38 1 0 0 0 0 3 38 1 0 0 0 0 4 38 1 0 0 0 0 5 19 1 0 0 0 0 5 26 1 0 0 0 0 6 17 1 0 0 0 0 6 32 1 0 0 0 0 7 28 1 0 0 0 0 7 62 1 0 0 0 0 8 28 2 0 0 0 0 9 31 2 0 0 0 0 10 15 2 0 0 0 0 10 22 1 0 0 0 0 11 27 1 0 0 0 0 11 31 1 0 0 0 0 11 54 1 0 0 0 0 12 14 2 3 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 13 20 1 0 0 0 0 14 40 1 0 0 0 0 16 28 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 43 1 0 0 0 0 19 23 1 0 0 0 0 20 23 2 0 0 0 0 20 44 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 2 0 0 0 0 23 45 1 0 0 0 0 24 29 1 0 0 0 0 24 46 1 0 0 0 0 25 30 1 0 0 0 0 25 47 1 0 0 0 0 26 31 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 27 34 1 0 0 0 0 27 35 2 0 0 0 0 29 30 2 0 0 0 0 29 50 1 0 0 0 0 30 51 1 0 0 0 0 32 39 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 33 34 2 0 0 0 0 33 36 1 0 0 0 0 33 38 1 0 0 0 0 34 55 1 0 0 0 0 35 37 1 0 0 0 0 35 56 1 0 0 0 0 36 37 2 0 0 0 0 36 57 1 0 0 0 0 37 58 1 0 0 0 0 39 59 1 0 0 0 0 39 60 1 0 0 0 0 39 61 1 0 0 0 0 M END > 4851599 > 1 > 873 > 10 > 2 > 10 > AAADceB7OYBAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHwQQCAAADAyh3hIyz7LIFgisAyXyXAKD+KBhKjhImD127JgPJrLksZ+HeCrk1BH66Ae0wBAOIAABQAAAQQBAAAKAAACCAAAAAAAAAA== > 3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]-3-butenoic acid > 3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-keto-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]but-3-enoic acid > InChI=1S/C28H23F3N2O5S/c1-2-37-23-13-17(12-18(14-26(35)36)27-33-21-8-3-4-9-24(21)39-27)10-11-22(23)38-16-25(34)32-20-7-5-6-19(15-20)28(29,30)31/h3-13,15H,2,14,16H2,1H3,(H,32,34)(H,35,36) > FTUFGIOYWZYKAZ-UHFFFAOYSA-N > 6.5 > 556.12797750 > C28H23F3N2O5S > 556.6 > CCOC1=C(C=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC(=O)NC4=CC=CC(=C4)C(F)(F)F > CCOC1=C(C=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC(=O)NC4=CC=CC(=C4)C(F)(F)F > 126 > 556.12797750 > 0 > 39 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 1 15 8 1 21 8 10 15 8 10 22 8 12 14 1 13 18 8 13 20 8 17 18 8 17 19 8 19 23 8 20 23 8 21 22 8 21 24 8 22 25 8 24 29 8 25 30 8 27 34 8 27 35 8 29 30 8 33 34 8 33 36 8 35 37 8 36 37 8 $$$$