[(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate

Systemtic Name: [(1S,2R,5R)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetic acid [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-methoxy-1H-benzimidazol-2-yl)thio]acetic acid [(1S,2R,5R)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)C(C)C

Isomeric SMILES

C[C@@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC3=C(N2)C=C(C=C3)OC)C(C)C

InChI

InChI=1S/C20H28N2O3S/c1-12(2)15-7-5-13(3)9-18(15)25-19(23)11-26-20-21-16-8-6-14(24-4)10-17(16)22-20/h6,8,10,12-13,15,18H,5,7,9,11H2,1-4H3,(H,21,22)/t13-,15-,18+/m1/s1