(5-methyl-2-propan-2-yl-cyclohexyl) 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate hydrochloride

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate hydrochloride Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetate hydrochloride CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester hydrochloride IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetate hydrochloride Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester hydrochloride Formula: C21H31ClN2O3S MolecularWeight: 427.00044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)OC3CC(CCC3C(C)C)C.Cl

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)OC3CC(CCC3C(C)C)C.Cl

InChI

InChI=1S/C21H30N2O3S.ClH/c1-5-25-15-7-9-17-18(11-15)23-21(22-17)27-12-20(24)26-19-10-14(4)6-8-16(19)13(2)3;/h7,9,11,13-14,16,19H,5-6,8,10,12H2,1-4H3,(H,22,23);1H