7515955 -OEChem-03282420462D 36 38 0 0 0 0 0 0 0999 V2000 4.6783 -0.0613 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.5981 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7619 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4860 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -0.3291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3819 -1.7320 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 19 1 0 0 0 0 3 19 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 19 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 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 28 1 0 0 0 0 14 18 1 0 0 0 0 14 29 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 16 21 2 0 0 0 0 16 31 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 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 CHG 1 2 -1 M END > 7515955 > 1 > 412 > 4 > 0 > 4 > AAADccB6MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQAAAAADAiB3gAwybIIEAisAyTyTACD8KBhCjhImD0wZJgIILLgkZGEIAhkgADoyAeYkQIOAAAAAAAAAQAAAAAAAAACAAAAAAAAAA== > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-4-pentenoate > (E)-4-(1,3-benzothiazol-2-yl)-5-phenylpent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-phenylpent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-phenyl-pent-4-enoate > 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)/p-1/b14-12+ > QSKLWVPYSFWSLQ-WYMLVPIESA-M > 5.3 > 308.07452486 > C18H14NO2S- > 308.4 > 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 > 81.3 > 308.07452486 > -1 > 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 15 8 12 16 8 13 17 8 14 18 8 15 20 8 16 21 8 17 18 8 20 22 8 21 22 8 4 11 8 4 7 8 $$$$