22108634 -OEChem-03192407122D 55 58 0 0 0 0 0 0 0999 V2000 4.6783 -0.7628 0.0000 S 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 10.7619 -2.4335 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.3722 0.0000 N 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 12.2619 -3.2996 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 11.2619 -3.2996 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 9.7619 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.2996 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 7.7619 -2.4335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -3.2996 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 6.2619 -1.5675 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 -2.4335 0.0000 C 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 -1.5675 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 -1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0675 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 2.8660 -0.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2368 -2.8321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2368 -2.0350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1542 -3.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8445 -3.5116 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 10.6793 -3.5116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -3.9101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -0.9569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -1.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -3.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -3.8365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.0306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -1.1000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 -0.3030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -2.9705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.5631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 -0.2340 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 2.8660 0.0525 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.3775 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 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 25 1 0 0 0 0 2 55 1 0 0 0 0 3 25 2 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 5 21 2 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 10 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 12 15 1 0 0 0 0 12 40 1 0 0 0 0 13 16 2 0 0 0 0 13 41 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 15 42 1 0 0 0 0 16 43 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 17 21 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 22 25 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 26 28 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 54 1 0 0 0 0 M END > 22108634 > 1 > 567 > 5 > 1 > 7 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgQACAAADAjB3gQwybMIEgisAyTyTACD8KBhCjhImD04ZJgIILLgkZGEYAhkgADoyAeYyAAOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > (E)-5-(1,3-benzothiazol-2-yl)-6-[4-(1-piperidyl)phenyl]hex-5-enoic acid > (E)-5-(1,3-benzothiazol-2-yl)-6-[4-(1-piperidinyl)phenyl]-5-hexenoic acid > (E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidin-1-ylphenyl)hex-5-enoic acid > (E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidin-1-ylphenyl)hex-5-enoic acid > (E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidin-1-ylphenyl)hex-5-enoic acid > (E)-5-(1,3-benzothiazol-2-yl)-6-(4-piperidinophenyl)hex-5-enoic acid > InChI=1S/C24H26N2O2S/c27-23(28)10-6-7-19(24-25-21-8-2-3-9-22(21)29-24)17-18-11-13-20(14-12-18)26-15-4-1-5-16-26/h2-3,8-9,11-14,17H,1,4-7,10,15-16H2,(H,27,28)/b19-17+ > JXNAGQMUTYRMOX-HTXNQAPBSA-N > 6 > 406.17149925 > C24H26N2O2S > 406.5 > C1CCN(CC1)C2=CC=C(C=C2)C=C(CCCC(=O)O)C3=NC4=CC=CC=C4S3 > C1CCN(CC1)C2=CC=C(C=C2)/C=C(\CCCC(=O)O)/C3=NC4=CC=CC=C4S3 > 81.7 > 406.17149925 > 0 > 29 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 8 1 23 8 11 12 8 11 13 8 12 15 8 13 16 8 14 15 8 14 16 8 23 24 8 23 26 8 24 27 8 26 28 8 27 29 8 28 29 8 5 21 8 5 24 8 $$$$