(5-methyl-2-propan-2-yl-cyclohexyl) 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate hydrochloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-(1H-benzimidazol-2-ylsulfanyl)ethanoate hydrochloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-(1H-benzimidazol-2-ylsulfanyl)acetate hydrochloride CAS Name: 2-(1H-benzimidazol-2-ylthio)acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester hydrochloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-(1H-benzimidazol-2-ylsulfanyl)acetate hydrochloride Traditional Name: 2-(1H-benzimidazol-2-ylthio)acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester hydrochloride Formula: C19H27ClN2O2S MolecularWeight: 382.94788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N2O2S.ClH/c1-12(2)14-9-8-13(3)10-17(14)23-18(22)11-24-19-20-15-6-4-5-7-16(15)21-19;/h4-7,12-14,17H,8-11H2,1-3H3,(H,20,21);1H