17756950 -OEChem-04262416322D 65 67 0 0 0 0 0 0 0999 V2000 4.0496 -3.9882 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 2.4996 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9939 2.4764 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4939 3.3424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -0.0604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.9939 0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 0.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 1.6103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 -1.0110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3600 1.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 2.1103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9939 2.4764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 -1.7552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3853 3.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 3.9117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3088 2.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3638 -2.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -1.5490 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6960 -3.4501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4068 -2.2933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7175 -3.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8863 0.1337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5765 0.5322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 -1.4989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 -0.7189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0500 0.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8969 0.8003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6700 1.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9379 2.6473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0910 2.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3179 1.5734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.0657 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8468 4.4022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9712 4.4496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9238 3.5741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2115 3.4502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2589 4.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 4.3732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8948 3.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8474 2.1620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7229 2.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 1.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.7074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 2.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.3643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 2.7443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9705 -2.8336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8820 -0.9597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8886 -4.0394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8001 -2.1655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 21 1 0 0 0 0 4 21 2 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 6 7 1 0 0 0 0 6 9 2 0 0 0 0 7 8 1 0 0 0 0 7 33 1 0 0 0 0 7 34 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 11 1 0 0 0 0 10 11 2 0 0 0 0 10 18 1 0 0 0 0 11 13 1 0 0 0 0 12 22 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 15 2 0 0 0 0 13 37 1 0 0 0 0 14 23 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 19 1 0 0 0 0 15 20 1 0 0 0 0 16 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 20 2 0 0 0 0 18 44 1 0 0 0 0 19 26 1 0 0 0 0 19 27 1 0 0 0 0 19 45 1 0 0 0 0 20 46 1 0 0 0 0 22 28 2 0 0 0 0 22 29 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 25 54 1 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 27 60 1 0 0 0 0 27 61 1 0 0 0 0 28 30 1 0 0 0 0 28 62 1 0 0 0 0 29 31 2 0 0 0 0 29 63 1 0 0 0 0 30 32 2 0 0 0 0 30 64 1 0 0 0 0 31 32 1 0 0 0 0 31 65 1 0 0 0 0 M CHG 1 3 -1 M END > 17756950 > 1 > 633 > 3 > 0 > 7 > AAADcfB6MABEAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgB9AAAHgYAAAAADwrB3iQyyfMMEAioAyTyTACCgCAhDzAI2DU4ZpgIIPLhk5GEIAxkgADoyAe8yOCPjAACAAACAAAYAAQAAAQAAAAAAAAAAA== > 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoate > 3-[3-(tert-butylthio)-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoate > 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate > 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate > 3-[3-tert-butylsulfanyl-1-[(4-chlorophenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoate > 3-[3-(tert-butylthio)-1-(4-chlorobenzyl)-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionate > InChI=1S/C27H34ClNO2S/c1-17(2)19-10-13-22-21(14-19)24(32-26(3,4)5)23(15-27(6,7)25(30)31)29(22)16-18-8-11-20(28)12-9-18/h8-14,17H,15-16H2,1-7H3,(H,30,31)/p-1 > QAOAOVKBIIKRNL-UHFFFAOYSA-M > 8.2 > 470.1920532 > C27H33ClNO2S- > 471.1 > CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-])CC3=CC=C(C=C3)Cl > CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)[O-])CC3=CC=C(C=C3)Cl > 70.4 > 470.1920532 > -1 > 32 > 0 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 10 11 8 10 18 8 11 13 8 13 15 8 15 20 8 18 20 8 22 28 8 22 29 8 28 30 8 29 31 8 30 32 8 31 32 8 5 10 8 5 6 8 6 9 8 9 11 8 $$$$