58470568 -OEChem-04262418212D 63 67 0 0 0 0 0 0 0999 V2000 11.6065 0.1038 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.1901 -0.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6901 0.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6065 -1.5057 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6901 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1901 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1901 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6901 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1901 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1901 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6901 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6901 -3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6901 -1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6901 -3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1901 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1901 -0.7010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2727 -1.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5824 -0.9564 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6075 -2.6451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2977 -3.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7727 -0.4889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0824 -0.0904 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.3210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 -1.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3801 -1.0300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3801 -3.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.8210 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.0110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0001 -3.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8101 -2.4330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 0.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 0.8241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.9190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.1090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5001 -0.1640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 12 2 0 0 0 0 3 25 1 0 0 0 0 3 31 1 0 0 0 0 4 27 1 0 0 0 0 4 59 1 0 0 0 0 5 33 1 0 0 0 0 5 63 1 0 0 0 0 6 33 2 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 9 16 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 14 2 0 0 0 0 11 17 1 0 0 0 0 14 19 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 45 1 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 20 2 0 0 0 0 19 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 22 29 2 0 0 0 0 22 49 1 0 0 0 0 23 27 1 0 0 0 0 23 50 1 0 0 0 0 24 28 2 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 30 2 0 0 0 0 26 33 1 0 0 0 0 28 52 1 0 0 0 0 29 30 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 32 34 2 0 0 0 0 32 35 1 0 0 0 0 34 36 1 0 0 0 0 34 57 1 0 0 0 0 35 37 2 0 0 0 0 35 58 1 0 0 0 0 36 38 2 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 37 61 1 0 0 0 0 38 62 1 0 0 0 0 M END > 58470568 > 1 > 788 > 7 > 2 > 10 > AAADceB6OABAAAAAAAAAAAAAAAAAAWAAAAAwYMGAAAAAAFgB9AAAHgQACAAADAyh3gIwz7IIFgisA6TyTACD+KBlKjhImD027NgNJrrmtZuGeSvkwBHr+YeYyPCOqAADgAAAQQBQAAcAAACCAAAAAAAAAA== > 3-[4-[6-(4-benzyloxy-3-hydroxy-phenyl)-1,3-benzothiazol-2-yl]-3-oxo-butyl]benzoic acid > 3-[4-[6-(3-hydroxy-4-phenylmethoxyphenyl)-1,3-benzothiazol-2-yl]-3-oxobutyl]benzoic acid > 3-[4-[6-(3-hydroxy-4-phenylmethoxyphenyl)-1,3-benzothiazol-2-yl]-3-oxobutyl]benzoic acid > 3-[4-[6-(3-hydroxy-4-phenylmethoxyphenyl)-1,3-benzothiazol-2-yl]-3-oxobutyl]benzoic acid > 3-[3-oxidanylidene-4-[6-(3-oxidanyl-4-phenylmethoxy-phenyl)-1,3-benzothiazol-2-yl]butyl]benzoic acid > 3-[4-[6-(4-benzoxy-3-hydroxy-phenyl)-1,3-benzothiazol-2-yl]-3-keto-butyl]benzoic acid > InChI=1S/C31H25NO5S/c33-25(12-9-20-7-4-8-24(15-20)31(35)36)18-30-32-26-13-10-23(17-29(26)38-30)22-11-14-28(27(34)16-22)37-19-21-5-2-1-3-6-21/h1-8,10-11,13-17,34H,9,12,18-19H2,(H,35,36) > DAOPYHDSZSGCQQ-UHFFFAOYSA-N > 6.2 > 523.14534407 > C31H25NO5S > 523.6 > C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC4=C(C=C3)N=C(S4)CC(=O)CCC5=CC(=CC=C5)C(=O)O)O > C1=CC=C(C=C1)COC2=C(C=C(C=C2)C3=CC4=C(C=C3)N=C(S4)CC(=O)CCC5=CC(=CC=C5)C(=O)O)O > 125 > 523.14534407 > 0 > 38 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 11 8 1 13 8 11 14 8 11 17 8 14 19 8 15 17 8 15 20 8 16 21 8 16 22 8 18 23 8 18 24 8 19 20 8 21 26 8 22 29 8 23 27 8 24 28 8 25 27 8 25 28 8 26 30 8 29 30 8 32 34 8 32 35 8 34 36 8 35 37 8 36 38 8 37 38 8 7 13 8 7 14 8 $$$$