25692076 -OEChem-03282413482D 59 62 0 0 0 0 0 0 0999 V2000 4.6783 1.4023 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.4636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7619 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 0.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -3.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 2.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -4.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -4.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9519 0.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 3.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5719 0.0606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3819 1.4636 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 23 1 0 0 0 0 3 15 1 0 0 0 0 3 27 1 0 0 0 0 4 24 1 0 0 0 0 4 56 1 0 0 0 0 5 24 2 0 0 0 0 6 28 2 0 0 0 0 7 12 2 0 0 0 0 7 18 1 0 0 0 0 8 28 1 0 0 0 0 8 30 1 0 0 0 0 8 50 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 11 1 0 0 0 0 10 14 2 0 0 0 0 10 19 1 0 0 0 0 11 36 1 0 0 0 0 13 24 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 39 1 0 0 0 0 15 16 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 22 2 0 0 0 0 19 20 2 0 0 0 0 19 40 1 0 0 0 0 20 41 1 0 0 0 0 21 25 1 0 0 0 0 21 42 1 0 0 0 0 22 26 1 0 0 0 0 22 43 1 0 0 0 0 23 28 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 25 26 2 0 0 0 0 25 46 1 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 29 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 31 33 1 0 0 0 0 31 54 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 35 1 0 0 0 0 34 58 1 0 0 0 0 35 59 1 0 0 0 0 M END > 25692076 > 1 > 741 > 7 > 2 > 10 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgQQCAAADAyh3gIyz7LIFgisAyXyXAKD+KBhKjhImD127JgPJrLksZ+HeCrk1BH66Ae0wBAOIAABAAAAQQBAAAIAAACCAAAAAAAAAA== > (E)-4-[4-(2-anilino-2-oxo-ethoxy)-3-ethoxy-phenyl]-3-(1,3-benzothiazol-2-yl)but-3-enoic acid > (E)-4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-3-(1,3-benzothiazol-2-yl)-3-butenoic acid > (E)-4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-3-(1,3-benzothiazol-2-yl)but-3-enoic acid > (E)-4-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]-3-(1,3-benzothiazol-2-yl)but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxidanylidene-2-phenylazanyl-ethoxy)phenyl]but-3-enoic acid > (E)-4-[4-(2-anilino-2-keto-ethoxy)-3-ethoxy-phenyl]-3-(1,3-benzothiazol-2-yl)but-3-enoic acid > InChI=1S/C27H24N2O5S/c1-2-33-23-15-18(12-13-22(23)34-17-25(30)28-20-8-4-3-5-9-20)14-19(16-26(31)32)27-29-21-10-6-7-11-24(21)35-27/h3-15H,2,16-17H2,1H3,(H,28,30)(H,31,32)/b19-14+ > CHTQPQIYQHIJIU-XMHGGMMESA-N > 5.6 > 488.14059304 > C27H24N2O5S > 488.6 > CCOC1=C(C=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC(=O)NC4=CC=CC=C4 > CCOC1=C(C=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)OCC(=O)NC4=CC=CC=C4 > 126 > 488.14059304 > 0 > 35 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 12 8 1 17 8 10 14 8 10 19 8 14 15 8 15 16 8 16 20 8 17 18 8 17 21 8 18 22 8 19 20 8 21 25 8 22 26 8 25 26 8 30 31 8 30 32 8 31 33 8 32 34 8 33 35 8 34 35 8 7 12 8 7 18 8 $$$$