3903371 -OEChem-03292408502D 54 57 0 0 0 0 0 0 0999 V2000 4.6783 0.1033 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 0.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 1.0306 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.8966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.1645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.5062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.7015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.0306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 1.8966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.2340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3695 1.6412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6793 1.2426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4519 -0.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -1.5675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.1085 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.5115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0719 -0.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 2.4335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 1.2766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3819 1.8966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 2.5166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 31 1 0 0 0 0 3 51 1 0 0 0 0 4 31 2 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 32 2 0 0 0 0 7 10 2 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 3 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 18 2 0 0 0 0 11 34 1 0 0 0 0 12 19 2 0 0 0 0 13 31 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 20 2 0 0 0 0 15 21 2 0 0 0 0 16 17 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 24 2 0 0 0 0 17 25 1 0 0 0 0 18 22 1 0 0 0 0 18 39 1 0 0 0 0 19 23 1 0 0 0 0 19 40 1 0 0 0 0 20 27 1 0 0 0 0 20 41 1 0 0 0 0 21 28 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 46 1 0 0 0 0 24 29 1 0 0 0 0 24 44 1 0 0 0 0 25 30 2 0 0 0 0 25 45 1 0 0 0 0 26 29 2 0 0 0 0 26 30 1 0 0 0 0 26 32 1 0 0 0 0 27 28 2 0 0 0 0 27 47 1 0 0 0 0 28 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 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 > 3903371 > 1 > 705 > 7 > 1 > 9 > AAADceB6OABAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgQACAAADAyh3gIyz7IIFgisAyTyTACD+KBlKjhImD02bNgMJrLktZuGeSjkwBHo6Ye8yDCOQAAAAAAIAQCAAAAAABACAAAAAAAAAA== > 3-(1,3-benzothiazol-2-yl)-4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]-3-butenoic acid > 3-(1,3-benzothiazol-2-yl)-4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[2-[(4-methoxycarbonylphenyl)methoxy]phenyl]but-3-enoic acid > 3-(1,3-benzothiazol-2-yl)-4-[2-(4-carbomethoxybenzyl)oxyphenyl]but-3-enoic acid > InChI=1S/C26H21NO5S/c1-31-26(30)18-12-10-17(11-13-18)16-32-22-8-4-2-6-19(22)14-20(15-24(28)29)25-27-21-7-3-5-9-23(21)33-25/h2-14H,15-16H2,1H3,(H,28,29) > RWHYMUOPKFERIS-UHFFFAOYSA-N > 5.7 > 459.11404394 > C26H21NO5S > 459.5 > COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(CC(=O)O)C3=NC4=CC=CC=C4S3 > COC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2C=C(CC(=O)O)C3=NC4=CC=CC=C4S3 > 114 > 459.11404394 > 0 > 33 > 0 > 0 > 0 > 1 > 0 > 1 > -1 > 1 5 255 > 1 10 8 1 14 8 12 19 8 14 15 8 14 20 8 15 21 8 17 24 8 17 25 8 18 22 8 19 23 8 20 27 8 21 28 8 22 23 8 24 29 8 25 30 8 26 29 8 26 30 8 27 28 8 7 10 8 7 15 8 8 11 1 9 12 8 9 18 8 $$$$