32702747 -OEChem-05062405032D 57 60 0 1 0 0 0 0 0999 V2000 4.6783 0.3717 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.0311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7619 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -1.2990 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 4.6783 -1.2377 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 -2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -2.3771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -2.7756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7368 -0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7368 -0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 -2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.1039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.7020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2988 0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4519 0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2249 0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 1.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4519 -0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0719 -0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8819 -2.1651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 23 1 0 0 0 0 2 30 1 0 0 0 0 3 30 2 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 5 19 2 0 0 0 0 5 24 1 0 0 0 0 6 11 1 0 0 0 0 6 33 1 0 0 0 0 6 34 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 18 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 15 1 0 0 0 0 9 16 2 0 0 0 0 9 17 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 10 19 1 0 0 0 0 11 21 2 0 0 0 0 11 22 1 0 0 0 0 12 16 1 0 0 0 0 12 37 1 0 0 0 0 13 17 2 0 0 0 0 13 38 1 0 0 0 0 14 20 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 30 1 0 0 0 0 20 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 1 0 0 0 0 21 49 1 0 0 0 0 22 26 2 0 0 0 0 22 50 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 29 2 0 0 0 0 25 27 2 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 52 1 0 0 0 0 27 55 1 0 0 0 0 28 31 1 0 0 0 0 28 53 1 0 0 0 0 29 32 1 0 0 0 0 29 54 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M CHG 1 2 -1 M END > 32702747 > 1 > 620 > 5 > 0 > 8 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgQAAAAADAjB3gQyybMIEAisAyTyTACD8KBhCjhImD04ZJgIILLgkZGEIAhkgADoyAeYkQIOCAAAAAAAAQAQAAAAAAACAAAAAAAAAA== > (E)-4-(1,3-benzothiazol-2-yl)-5-[4-[benzyl(ethyl)amino]phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[4-[ethyl-(phenylmethyl)amino]phenyl]-4-pentenoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[4-[benzyl(ethyl)amino]phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[4-[benzyl(ethyl)amino]phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[4-[ethyl-(phenylmethyl)amino]phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[4-[benzyl(ethyl)amino]phenyl]pent-4-enoate > InChI=1S/C27H26N2O2S/c1-2-29(19-21-8-4-3-5-9-21)23-15-12-20(13-16-23)18-22(14-17-26(30)31)27-28-24-10-6-7-11-25(24)32-27/h3-13,15-16,18H,2,14,17,19H2,1H3,(H,30,31)/p-1/b22-18+ > OGHMSAWRFLWPDK-RELWKKBWSA-M > 7.3 > 441.16367422 > C27H25N2O2S- > 441.6 > CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C=C(CCC(=O)[O-])C3=NC4=CC=CC=C4S3 > CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)/C=C(\CCC(=O)[O-])/C3=NC4=CC=CC=C4S3 > 84.5 > 441.16367422 > -1 > 32 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 19 8 1 23 8 11 21 8 11 22 8 12 16 8 13 17 8 21 25 8 22 26 8 23 24 8 23 28 8 24 29 8 25 27 8 26 27 8 28 31 8 29 32 8 31 32 8 5 19 8 5 24 8 7 12 8 7 13 8 9 16 8 9 17 8 $$$$