41093485 -OEChem-04262412102D 59 62 0 0 0 0 0 0 0999 V2000 4.6783 0.8047 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 3.4641 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7619 2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 0.8660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.8047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7619 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 -1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.4641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7869 1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6542 0.2554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3445 0.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8695 3.2087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 2.8101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7368 1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7368 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 0.2121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.4675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.2646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -1.4030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 2.1306 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7869 1.3335 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5719 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7249 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9519 -4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 27 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 3 19 1 0 0 0 0 4 14 2 0 0 0 0 5 22 1 0 0 0 0 5 34 1 0 0 0 0 6 31 1 0 0 0 0 7 31 2 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 21 2 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 13 1 0 0 0 0 11 37 1 0 0 0 0 11 38 1 0 0 0 0 12 39 1 0 0 0 0 12 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 15 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 17 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 23 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 18 20 1 0 0 0 0 18 24 2 0 0 0 0 18 25 1 0 0 0 0 19 22 2 0 0 0 0 19 26 1 0 0 0 0 20 47 1 0 0 0 0 22 24 1 0 0 0 0 23 31 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 2 0 0 0 0 25 51 1 0 0 0 0 26 52 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 29 32 1 0 0 0 0 29 53 1 0 0 0 0 30 33 1 0 0 0 0 30 54 1 0 0 0 0 32 33 2 0 0 0 0 32 55 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 34 58 1 0 0 0 0 34 59 1 0 0 0 0 M CHG 1 6 -1 M END > 41093485 > 1 > 723 > 8 > 0 > 8 > AAADceB7OABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAFgB9AAAHgQAAAAADAzh3gYyz7MIFAisAyXyXAKD+KBhKjhImD1+7JgPJrLksZ+HOCrkxhH66AeY0RIOIAABAAAAQQBAAAIAAACCAAAAAAAAAA== > (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(2-morpholino-2-oxo-ethoxy)phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-pentenoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[3-methoxy-4-(2-morpholin-4-yl-2-oxidanylidene-ethoxy)phenyl]pent-4-enoate > (E)-4-(1,3-benzothiazol-2-yl)-5-[4-(2-keto-2-morpholino-ethoxy)-3-methoxy-phenyl]pent-4-enoate > InChI=1S/C25H26N2O6S/c1-31-21-15-17(6-8-20(21)33-16-23(28)27-10-12-32-13-11-27)14-18(7-9-24(29)30)25-26-19-4-2-3-5-22(19)34-25/h2-6,8,14-15H,7,9-13,16H2,1H3,(H,29,30)/p-1/b18-14+ > POXUNLCETRZOFW-NBVRZTHBSA-M > 4.4 > 481.14333270 > C25H25N2O6S- > 481.5 > COC1=C(C=CC(=C1)C=C(CCC(=O)[O-])C2=NC3=CC=CC=C3S2)OCC(=O)N4CCOCC4 > COC1=C(C=CC(=C1)/C=C(\CCC(=O)[O-])/C2=NC3=CC=CC=C3S2)OCC(=O)N4CCOCC4 > 129 > 481.14333270 > -1 > 34 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 21 8 1 27 8 18 24 8 18 25 8 19 22 8 19 26 8 22 24 8 25 26 8 27 28 8 27 29 8 28 30 8 29 32 8 30 33 8 32 33 8 9 21 8 9 28 8 $$$$