23684414 -OEChem-04192417592D 87 87 0 1 0 0 0 0 0999 V2000 8.9534 0.3106 0.0000 K 0 3 0 0 0 0 0 0 0 0 0 0 15.0126 1.4165 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 10.8255 5.0766 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 2.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0029 0.0000 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.3080 0.3572 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5675 1.7786 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2217 3.4055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5078 8.5356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5078 11.0344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1541 2.5968 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 4.2676 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8255 3.4586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8751 15.4085 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8751 14.4085 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.7417 14.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9241 15.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9241 14.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3363 14.9085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2079 3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7377 3.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 2.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1541 4.2063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4648 1.6463 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 3.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4758 2.9016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7377 3.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8420 1.5355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6098 4.4016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7377 5.1336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2586 0.6678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2377 4.2676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2377 5.9996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 3.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7766 4.7676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5856 3.1798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4811 2.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4991 3.5866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3081 2.9988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2901 1.5975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2036 2.0042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4630 0.7840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3262 4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1272 15.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1272 13.8421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1402 14.4336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1402 15.3835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1763 16.2840 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3872 16.0276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3872 13.7895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1763 13.5331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8756 15.3234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8756 14.4937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3467 4.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9911 1.3187 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8457 1.6128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3419 5.0216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9389 2.5916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3050 1.8454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5320 0.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3789 1.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9198 4.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 4.7116 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 3.8646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2628 5.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2628 4.7351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7747 5.6896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5477 6.5366 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7008 6.3097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2782 5.1320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5639 4.2032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2253 0.9809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8464 0.8488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3982 0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0796 0.7192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9428 4.3352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3910 5.0166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7096 4.4648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0739 8.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.2021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0448 8.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9709 8.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0448 11.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9709 11.3444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 44 1 0 0 0 0 3 35 1 0 0 0 0 3 38 1 0 0 0 0 4 30 2 0 0 0 0 5 34 1 0 0 0 0 6 34 2 0 0 0 0 7 40 1 0 0 0 0 7 45 1 0 0 0 0 8 42 1 0 0 0 0 8 46 1 0 0 0 0 9 82 1 0 0 0 0 9 83 1 0 0 0 0 10 84 1 0 0 0 0 10 85 1 0 0 0 0 11 86 1 0 0 0 0 11 87 1 0 0 0 0 12 21 1 0 0 0 0 12 23 1 0 0 0 0 12 26 1 0 0 0 0 13 30 1 0 0 0 0 13 33 1 0 0 0 0 13 35 1 0 0 0 0 14 35 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 19 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 20 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 19 20 1 0 0 0 0 19 53 1 0 0 0 0 19 54 1 0 0 0 0 20 55 1 0 0 0 0 20 56 1 0 0 0 0 21 22 1 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 27 2 0 0 0 0 23 25 2 0 0 0 0 23 30 1 0 0 0 0 24 29 1 0 0 0 0 24 31 1 0 0 0 0 25 57 1 0 0 0 0 26 34 1 0 0 0 0 26 58 1 0 0 0 0 26 59 1 0 0 0 0 27 28 1 0 0 0 0 27 60 1 0 0 0 0 28 29 2 0 0 0 0 28 32 1 0 0 0 0 29 61 1 0 0 0 0 31 62 1 0 0 0 0 31 63 1 0 0 0 0 31 64 1 0 0 0 0 32 65 1 0 0 0 0 32 66 1 0 0 0 0 32 67 1 0 0 0 0 33 36 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 36 70 1 0 0 0 0 36 71 1 0 0 0 0 36 72 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 73 1 0 0 0 0 39 40 1 0 0 0 0 39 41 2 0 0 0 0 40 43 2 0 0 0 0 41 42 1 0 0 0 0 41 74 1 0 0 0 0 42 44 2 0 0 0 0 43 44 1 0 0 0 0 43 75 1 0 0 0 0 45 76 1 0 0 0 0 45 77 1 0 0 0 0 45 78 1 0 0 0 0 46 79 1 0 0 0 0 46 80 1 0 0 0 0 46 81 1 0 0 0 0 M CHG 2 1 1 5 -1 M END > 23684414 > 1 > 858 > 10 > 3 > 8 > AAADcfB/PABEQAAAAAAAAAAAGAAAAeLEAAAwYMAAAAAAAFgB/AAAHgYACAAADQ7F3iaz3/MMFAisAyXyfACC+KlnL3gB2DW+b9iOZvPlv7uUMShuxxPY6af4yfCeDQADAQAKCAAaAAYCABQQAAAAAAAAAA== > potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]acetate;trihydrate > potassium;bicyclo[3.1.0]hexane;2-[2-[[[4-(4-chloro-2,5-dimethoxyphenyl)-2-thiazolyl]-ethylamino]-oxomethyl]-5,7-dimethyl-1-indolyl]acetate;trihydrate > potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate > potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-ethylcarbamoyl]-5,7-dimethylindol-1-yl]acetate;trihydrate > potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloranyl-2,5-dimethoxy-phenyl)-1,3-thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]ethanoate;trihydrate > potassium;bicyclo[3.1.0]hexane;2-[2-[[4-(4-chloro-2,5-dimethoxy-phenyl)thiazol-2-yl]-ethyl-carbamoyl]-5,7-dimethyl-indol-1-yl]acetate;trihydrate > InChI=1S/C26H26ClN3O5S.C6H10.K.3H2O/c1-6-29(26-28-19(13-36-26)17-10-22(35-5)18(27)11-21(17)34-4)25(33)20-9-16-8-14(2)7-15(3)24(16)30(20)12-23(31)32;1-2-5-4-6(5)3-1;;;;/h7-11,13H,6,12H2,1-5H3,(H,31,32);5-6H,1-4H2;;3*1H2/q;;+1;;;/p-1 > LYGGPSFIQPMWCW-UHFFFAOYSA-M > 701.1939956 > C32H41ClKN3O8S > 702.3 > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=CC4=CC(=CC(=C4N3CC(=O)[O-])C)C.C1CC2CC2C1.O.O.O.[K+] > CCN(C1=NC(=CS1)C2=CC(=C(C=C2OC)Cl)OC)C(=O)C3=CC4=CC(=CC(=C4N3CC(=O)[O-])C)C.C1CC2CC2C1.O.O.O.[K+] > 128 > 701.1939956 > 0 > 46 > 0 > 2 > 0 > 0 > 0 > 6 > -1 > 1 5 7 > 1 5 255 > 12 21 8 12 23 8 14 35 8 14 37 8 15 18 3 16 19 3 21 22 8 21 24 8 22 25 8 22 27 8 23 25 8 24 29 8 27 28 8 28 29 8 3 35 8 3 38 8 37 38 8 39 40 8 39 41 8 40 43 8 41 42 8 42 44 8 43 44 8 $$$$