51561722 -OEChem-03182423482D 44 46 0 0 0 0 0 0 0999 V2000 9.7619 1.2990 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 1.2377 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.7619 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7619 -2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 3.0311 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.2619 2.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.3717 0.0000 N 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 7.7619 -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 6.7619 -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 3.7320 0.9330 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 8.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -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 9.7619 -0.4330 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 2.8660 1.4330 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 2.0000 0.9330 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 6.2619 2.1651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -3.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4519 -0.9699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 0.9005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2368 1.6976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 -1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9519 0.9699 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 2.8660 -1.1870 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 1.4631 -0.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6793 -1.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3695 -1.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -1.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8819 -1.2990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2619 -0.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7249 -2.7211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9519 -3.5680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7988 -3.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 3 25 1 0 0 0 0 4 16 1 0 0 0 0 4 27 1 0 0 0 0 5 24 1 0 0 0 0 6 24 2 0 0 0 0 7 10 2 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 11 1 0 0 0 0 9 15 2 0 0 0 0 9 17 1 0 0 0 0 11 28 1 0 0 0 0 12 24 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 14 1 0 0 0 0 13 20 2 0 0 0 0 14 21 2 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 18 2 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 23 2 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 25 26 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 26 39 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 M CHG 1 5 -1 M END > 51561722 > 1 > 541 > 6 > 0 > 6 > AAADceB6OABAEAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgRAAAABrAyh3gIyz7IIFAisAyTyTACD+KBhKjxImD027LgNJrLksZuGOCrkwBHq6he0wBAOIAABEIAARQBAAAIhAACKAAAAAAAAAA== > (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4-ethoxy-5-methoxy-phenyl)but-3-enoate > (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)-3-butenoate > (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)but-3-enoate > (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4-ethoxy-5-methoxyphenyl)but-3-enoate > (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromanyl-4-ethoxy-5-methoxy-phenyl)but-3-enoate > (E)-3-(1,3-benzothiazol-2-yl)-4-(3-bromo-4-ethoxy-5-methoxy-phenyl)but-3-enoate > InChI=1S/C20H18BrNO4S/c1-3-26-19-14(21)9-12(10-16(19)25-2)8-13(11-18(23)24)20-22-15-6-4-5-7-17(15)27-20/h4-10H,3,11H2,1-2H3,(H,23,24)/p-1/b13-8+ > RJVLGOMIKGMSGG-MDWZMJQESA-M > 6.1 > 446.00617 > C20H17BrNO4S- > 447.3 > CCOC1=C(C=C(C=C1Br)C=C(CC(=O)[O-])C2=NC3=CC=CC=C3S2)OC > CCOC1=C(C=C(C=C1Br)/C=C(\CC(=O)[O-])/C2=NC3=CC=CC=C3S2)OC > 99.7 > 446.00617 > -1 > 27 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 13 14 8 13 20 8 14 21 8 15 16 8 16 18 8 17 19 8 18 19 8 2 10 8 2 13 8 20 22 8 21 23 8 22 23 8 7 10 8 7 14 8 9 15 8 9 17 8 $$$$