52440880 -OEChem-03292410592D 43 45 0 0 0 0 0 0 0999 V2000 4.6783 2.5368 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7619 -0.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7619 -2.5981 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 0.9273 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2619 3.4641 0.0000 N 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 6.7619 -0.8660 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 6.2619 -1.7320 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 -2.5981 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 5.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -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 5.2619 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -3.4641 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 8.5719 -1.1951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3819 0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2249 -2.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4519 -3.1350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2988 -2.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -2.3521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8819 -1.7320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2619 -1.1120 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 0.5369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9519 -2.2690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1419 -0.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3520 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.5420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7249 -3.1541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9519 -4.0010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7988 -3.7741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 3 9 1 0 0 0 0 3 24 1 0 0 0 0 4 16 2 0 0 0 0 4 19 1 0 0 0 0 5 25 3 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 26 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 2 0 0 0 0 10 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 17 2 0 0 0 0 13 34 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 22 23 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 M END > 52440880 > 1 > 527 > 5 > 0 > 5 > AAADceB7MABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQAAAAADByh3gIyx7IIFAi0ByRiRACj+KBhKjhImDw27JgNpqLksZuGOCrkwBHq6AeQwDAOAAABAAAIQQAAAAIAABCCAAAAAAAAAA== > (Z)-2-(1,3-benzothiazol-2-yl)-3-(2-isopropoxy-3-methoxy-phenyl)prop-2-enenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-propan-2-yloxyphenyl)-2-propenenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-propan-2-yloxyphenyl)prop-2-enenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-(3-methoxy-2-propan-2-yloxy-phenyl)prop-2-enenitrile > (Z)-2-(1,3-benzothiazol-2-yl)-3-(2-isopropoxy-3-methoxy-phenyl)acrylonitrile > InChI=1S/C20H18N2O2S/c1-13(2)24-19-14(7-6-9-17(19)23-3)11-15(12-21)20-22-16-8-4-5-10-18(16)25-20/h4-11,13H,1-3H3/b15-11- > MOFFOVJKYZEVRK-PTNGSMBKSA-N > 4.9 > 350.10889899 > C20H18N2O2S > 350.4 > CC(C)OC1=C(C=CC=C1OC)C=C(C#N)C2=NC3=CC=CC=C3S2 > CC(C)OC1=C(C=CC=C1OC)/C=C(/C#N)\C2=NC3=CC=CC=C3S2 > 83.4 > 350.10889899 > 0 > 25 > 0 > 0 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 18 8 13 17 8 14 17 8 18 19 8 18 20 8 19 21 8 20 22 8 21 23 8 22 23 8 4 16 8 4 19 8 7 8 8 7 9 8 8 13 8 9 14 8 $$$$