17413108 -OEChem-05142407002D 62 65 0 0 0 0 0 0 0999 V2000 4.6783 1.4023 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.2685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.0005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.1956 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 2.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 1.4636 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.2072 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 3.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 3.1956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 1.4636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 0.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.2685 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 7.7619 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 0.5976 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 8.2619 0.5976 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 -0.2685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.5976 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 3.7320 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0976 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 2.8660 1.5976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 2.3296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -3.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 3.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 3.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7368 1.9311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7368 2.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 3.8062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 3.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 0.8530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 1.2515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 2.7281 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 1.9311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 1.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 0.8096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.6714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 1.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.8054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.0650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.8621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7869 -3.2651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.2124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -4.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0719 -4.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2988 -3.4226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 3.7326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 1 0 0 0 0 2 15 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 17 1 0 0 0 0 4 28 1 0 0 0 0 5 31 1 0 0 0 0 5 62 1 0 0 0 0 6 31 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 24 2 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 12 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 13 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 18 23 1 0 0 0 0 19 21 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 50 1 0 0 0 0 25 31 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 29 2 0 0 0 0 27 30 2 0 0 0 0 28 34 1 0 0 0 0 28 53 1 0 0 0 0 28 54 1 0 0 0 0 29 32 1 0 0 0 0 29 55 1 0 0 0 0 30 33 1 0 0 0 0 30 56 1 0 0 0 0 32 33 2 0 0 0 0 32 57 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 M END > 17413108 > 1 > 726 > 7 > 1 > 9 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgQACAAADAzh3gYyz7MIFgisAyXyXAKD+KBhKjhImD1+7JgPJrLksZ+HeCrkxhH66Ae0wBAOIAABAAAAQQBAAAIAAACCAAAAAAAAAA== > (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-(1-piperidyl)ethoxy]phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-[2-oxo-2-(1-piperidinyl)ethoxy]phenyl]-3-butenoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxo-2-piperidin-1-ylethoxy)phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-oxidanylidene-2-piperidin-1-yl-ethoxy)phenyl]but-3-enoic acid > (E)-3-(1,3-benzothiazol-2-yl)-4-[3-ethoxy-4-(2-keto-2-piperidino-ethoxy)phenyl]but-3-enoic acid > InChI=1S/C26H28N2O5S/c1-2-32-22-15-18(10-11-21(22)33-17-24(29)28-12-6-3-7-13-28)14-19(16-25(30)31)26-27-20-8-4-5-9-23(20)34-26/h4-5,8-11,14-15H,2-3,6-7,12-13,16-17H2,1H3,(H,30,31)/b19-14+ > WZPIWLWBRDDFFS-XMHGGMMESA-N > 5.1 > 480.17189317 > C26H28N2O5S > 480.6 > CCOC1=C(C=CC(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3S2)OCC(=O)N4CCCCC4 > CCOC1=C(C=CC(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3S2)OCC(=O)N4CCCCC4 > 117 > 480.17189317 > 0 > 34 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 24 8 1 26 8 16 17 8 16 19 8 17 20 8 18 20 8 18 21 8 19 21 8 26 27 8 26 29 8 27 30 8 29 32 8 30 33 8 32 33 8 8 24 8 8 27 8 $$$$