70161421 -OEChem-05052415012D 65 68 0 0 0 0 0 0 0999 V2000 13.4028 3.1621 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 -0.4981 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.4211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3931 -3.9567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6982 -3.5995 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9938 -0.0025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5757 3.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.3598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.3109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2157 1.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.2497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 -2.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -0.5551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 1.2002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2321 -2.4212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 1.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6488 -3.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.0430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 0.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1667 -0.1891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9758 1.3987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8893 0.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8712 2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6803 2.9810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6983 1.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5938 2.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9074 -0.4093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3847 4.5633 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3813 -2.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2359 -2.3439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 1.0076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 1.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 1.3928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6952 -2.1112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 -2.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7691 -2.7311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 1.5755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 0.7784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1648 1.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 2.5799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 2.3530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6683 -0.5535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2652 -4.5633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3048 2.6454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2647 1.3276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6552 -0.9757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4738 -0.6614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1596 0.1571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7492 4.0618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8863 4.9278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0203 5.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 35 1 0 0 0 0 2 26 1 0 0 0 0 2 29 1 0 0 0 0 3 19 2 0 0 0 0 4 25 1 0 0 0 0 4 57 1 0 0 0 0 5 25 2 0 0 0 0 6 31 1 0 0 0 0 6 36 1 0 0 0 0 7 33 1 0 0 0 0 7 37 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 19 1 0 0 0 0 9 24 1 0 0 0 0 9 26 1 0 0 0 0 10 26 2 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 14 1 0 0 0 0 12 16 2 0 0 0 0 13 14 2 0 0 0 0 13 19 1 0 0 0 0 14 21 1 0 0 0 0 15 20 1 0 0 0 0 15 22 1 0 0 0 0 16 18 1 0 0 0 0 16 38 1 0 0 0 0 17 25 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 23 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 23 50 1 0 0 0 0 24 27 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 32 2 0 0 0 0 31 34 2 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 59 1 0 0 0 0 36 60 1 0 0 0 0 36 61 1 0 0 0 0 36 62 1 0 0 0 0 37 63 1 0 0 0 0 37 64 1 0 0 0 0 37 65 1 0 0 0 0 M END > 70161421 > 1 > 823 > 7 > 1 > 8 > AAADceB7OABEAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/AAAHgYACAAADA7F3iaz3/MMFgisAyXyfACC+KlnL3gB2DW+b9iOZvPlv7uUMShuxxPY6Sf4yfCejQADAQAKCAAaAAYCABQQAAAAAAAAAA== > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-3,5,7-trimethyl-indol-1-yl]acetic acid > 2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-2-thiazolyl]-ethylamino]-oxomethyl]-3,5,7-trimethyl-1-indolyl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-3,5,7-trimethylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-3,5,7-trimethylindol-1-yl]acetic acid > 2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-1,3-thiazol-2-yl]-ethyl-carbamoyl]-3,5,7-trimethyl-indol-1-yl]ethanoic acid > 2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-3,5,7-trimethyl-indol-1-yl]acetic acid > InChI=1S/C27H28ClN3O5S/c1-7-30(27-29-20(13-37-27)18-10-22(36-6)19(28)11-21(18)35-5)26(34)25-16(4)17-9-14(2)8-15(3)24(17)31(25)12-23(32)33/h8-11,13H,7,12H2,1-6H3,(H,32,33) > PRQJPAYIPZOJFF-UHFFFAOYSA-N > 6.1 > 541.1438199 > C27H28ClN3O5S > 542.0 > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=C(C4=CC(=CC(=C4N3CC(=O)O)C)C)C > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=C(C4=CC(=CC(=C4N3CC(=O)O)C)C)C > 122 > 541.1438199 > 0 > 37 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 26 8 10 28 8 11 12 8 11 15 8 12 14 8 12 16 8 13 14 8 15 20 8 16 18 8 18 20 8 2 26 8 2 29 8 28 29 8 30 31 8 30 32 8 31 34 8 32 33 8 33 35 8 34 35 8 8 11 8 8 13 8 $$$$