60194688 -OEChem-03292406542D 41 43 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 9.2619 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.7320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2619 -1.7320 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 4.6783 -0.8047 0.0000 N 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 8.2619 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8958 -1.3660 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 7.7619 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 7.7619 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2619 -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 6.7619 -0.8660 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 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 7.7619 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9379 -0.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1648 -0.0560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3179 0.1709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5858 -0.8291 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3589 -1.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2058 -1.9030 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 8.0719 -1.4030 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 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 11.5719 -2.2690 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 7.4519 3.1350 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 1 16 1 0 0 0 0 1 18 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 12 1 0 0 0 0 3 24 1 0 0 0 0 4 15 1 0 0 0 0 4 38 1 0 0 0 0 5 15 2 0 0 0 0 6 16 2 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 13 1 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 17 33 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 34 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > 60194688 > 1 > 458 > 6 > 1 > 5 > AAADceB6OABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgQACAAADEyB3gIyz7IIFgisAyTyTAKD+KBhKjhImD127JgNJqLksZ+GeCrkwBHr6Aew0BIOIAABAAAAQQBAAAIAAACCAAAAAAAAAA== > 2-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]-2-methyl-propanoic acid > 2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]-2-methylpropanoic acid > 2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]-2-methylpropanoic acid > 2-[4-(1,3-benzothiazol-2-yl)-2-methoxyphenoxy]-2-methylpropanoic acid > 2-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]-2-methyl-propanoic acid > 2-[4-(1,3-benzothiazol-2-yl)-2-methoxy-phenoxy]-2-methyl-propionic acid > InChI=1S/C18H17NO4S/c1-18(2,17(20)21)23-13-9-8-11(10-14(13)22-3)16-19-12-6-4-5-7-15(12)24-16/h4-10H,1-3H3,(H,20,21) > WBKLFVFRVBJDQR-UHFFFAOYSA-N > 4.2 > 343.08782920 > C18H17NO4S > 343.4 > CC(C)(C(=O)O)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OC > CC(C)(C(=O)O)OC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)OC > 96.9 > 343.08782920 > 0 > 24 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 18 8 11 13 8 11 17 8 12 13 8 14 17 8 18 19 8 18 20 8 19 21 8 20 22 8 21 23 8 22 23 8 6 16 8 6 19 8 8 12 8 8 14 8 $$$$