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

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetate CAS Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetate Traditional Name: 2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C21H30N2O3S MolecularWeight: 390.5395

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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

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)O[C@H]3C[C@H](CC[C@@H]3C(C)C)C

InChI

InChI=1S/C21H30N2O3S/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)/t14-,16+,19-/m0/s1