S-(4-methylphenyl) 2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanethioate

Systemtic Name: S-(4-methylphenyl) 2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanethioate Openeye Name: S-(p-tolyl) 2-(benzyloxycarbonylamino)-2-cyclohexyl-ethanethioate CAS Name: 2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 2-cyclohexyl-2-(phenylmethoxycarbonylamino)ethanethioate Traditional Name: 2-(benzyloxycarbonylamino)-2-cyclohexyl-ethanethioic acid S-(p-tolyl) ester Formula: C23H27NO3S MolecularWeight: 397.53038

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(C2CCCCC2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C(C2CCCCC2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H27NO3S/c1-17-12-14-20(15-13-17)28-22(25)21(19-10-6-3-7-11-19)24-23(26)27-16-18-8-4-2-5-9-18/h2,4-5,8-9,12-15,19,21H,3,6-7,10-11,16H2,1H3,(H,24,26)