55727780 -OEChem-03292410352D 44 46 0 0 0 0 0 0 0999 V2000 4.6783 0.9693 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.7015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.7626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -2.4335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -3.2996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.2384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.4291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.7015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -1.7796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.1781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9745 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -1.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -0.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 3.2996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 13 1 0 0 0 0 2 17 1 0 0 0 0 2 22 1 0 0 0 0 3 25 1 0 0 0 0 3 43 1 0 0 0 0 4 25 2 0 0 0 0 5 27 1 0 0 0 0 5 44 1 0 0 0 0 6 27 2 0 0 0 0 7 9 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 10 16 1 0 0 0 0 11 28 1 0 0 0 0 12 25 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 21 2 0 0 0 0 15 18 1 0 0 0 0 15 31 1 0 0 0 0 16 19 2 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 23 1 0 0 0 0 20 35 1 0 0 0 0 21 24 1 0 0 0 0 21 36 1 0 0 0 0 22 26 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 26 27 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 M END > 55727780 > 1 > 559 > 7 > 2 > 8 > AAADceB6OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQACAAADAyh3gIwz7IIFgisAyTyTACD+KBhKjhImD02bJgMJrbksZuGeCjl4BHo6Ae0wAAOIAAAAAAAAQBAAAAAAAACAAAAAAAAAA== > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-carboxyethoxy)phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-carboxyethoxy)phenyl]-3-butenoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-carboxyethoxy)phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-carboxyethoxy)phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(3-hydroxy-3-oxopropyloxy)phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[4-(2-carboxyethoxy)phenyl]but-3-enoic acid > InChI=1S/C20H17NO5S/c22-18(23)9-10-26-15-7-5-13(6-8-15)11-14(12-19(24)25)20-21-16-3-1-2-4-17(16)27-20/h1-8,11H,9-10,12H2,(H,22,23)(H,24,25)/b14-11+ > XGEWHRAZRAHHAM-SDNWHVSQSA-N > 3.9 > 383.08274382 > C20H17NO5S > 383.4 > C1=CC=C2C(=C1)N=C(S2)C(=CC3=CC=C(C=C3)OCCC(=O)O)CC(=O)O > C1=CC=C2C(=C1)N=C(S2)/C(=C/C3=CC=C(C=C3)OCCC(=O)O)/CC(=O)O > 125 > 383.08274382 > 0 > 27 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 13 8 1 9 8 10 15 8 10 16 8 13 14 8 13 20 8 14 21 8 15 18 8 16 19 8 17 18 8 17 19 8 20 23 8 21 24 8 23 24 8 7 14 8 7 9 8 $$$$