6092722 -OEChem-03282420512D 37 39 0 0 0 0 0 0 0999 V2000 4.6783 -0.3298 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 1.4636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.9392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.1345 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 -1.1345 0.0000 C 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 6.7619 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1345 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 -2.8665 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 2.0000 -0.6345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.6345 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 9.2619 -1.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.0005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.1301 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.9961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.1990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.5375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.7545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -3.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.9445 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -3.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.5976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -2.0005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5719 2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 15 1 0 0 0 0 2 37 1 0 0 0 0 3 15 2 0 0 0 0 4 7 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 2 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 8 15 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 13 28 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 16 20 1 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 19 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 2 0 0 0 0 20 34 1 0 0 0 0 21 22 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END > 6092722 > 1 > 417 > 4 > 1 > 5 > AAADccB6MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQACAAADAiB3gAwybIIEgisAyTyTACD8KBhCjhImD0wZJgIILLgkZGEYAhkgADoyAeYkQIOAAAAAAAAAQAAAAAAAAACAAAAAAAAAA== > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoic acid > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-4-pentenoic acid > (E)-4-(1,3-benzothiazol-2-yl)-5-phenylpent-4-enoic acid > (E)-4-(1,3-benzothiazol-2-yl)-5-phenylpent-4-enoic acid > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoic acid > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoic acid > InChI=1S/C18H15NO2S/c20-17(21)11-10-14(12-13-6-2-1-3-7-13)18-19-15-8-4-5-9-16(15)22-18/h1-9,12H,10-11H2,(H,20,21)/b14-12+ > QSKLWVPYSFWSLQ-WYMLVPIESA-N > 4.7 > 309.08234989 > C18H15NO2S > 309.4 > C1=CC=C(C=C1)C=C(CCC(=O)O)C2=NC3=CC=CC=C3S2 > C1=CC=C(C=C1)/C=C(\CCC(=O)O)/C2=NC3=CC=CC=C3S2 > 78.4 > 309.08234989 > 0 > 22 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 10 8 1 7 8 10 11 8 10 13 8 11 14 8 12 16 8 12 17 8 13 18 8 14 19 8 16 20 8 17 21 8 18 19 8 20 22 8 21 22 8 4 11 8 4 7 8 $$$$