[(1S,2R,5S)-2-tert-butyl-5-methyl-cyclohexyl] 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate

Systemtic Name: [(1S,2R,5S)-2-tert-butyl-5-methyl-cyclohexyl] 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate Openeye Name: [(1S,2R,5S)-2-tert-butyl-5-methyl-cyclohexyl] 2-(1H-benzimidazol-2-ylsulfanyl)acetate CAS Name: 2-(1H-benzimidazol-2-ylthio)acetic acid [(1S,2R,5S)-2-tert-butyl-5-methylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-2-tert-butyl-5-methylcyclohexyl] 2-(1H-benzimidazol-2-ylsulfanyl)acetate Traditional Name: 2-(1H-benzimidazol-2-ylthio)acetic acid [(1S,2R,5S)-2-tert-butyl-5-methyl-cyclohexyl] ester Formula: C20H28N2O2S MolecularWeight: 360.51352

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3N2)C(C)(C)C

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC3=CC=CC=C3N2)C(C)(C)C

InChI

InChI=1S/C20H28N2O2S/c1-13-9-10-14(20(2,3)4)17(11-13)24-18(23)12-25-19-21-15-7-5-6-8-16(15)22-19/h5-8,13-14,17H,9-12H2,1-4H3,(H,21,22)/t13-,14-,17-/m0/s1