S-(4-methylphenyl) 4-phenyl-2-(phenylmethoxycarbonylamino)butanethioate

Systemtic Name: S-(4-methylphenyl) 4-phenyl-2-(phenylmethoxycarbonylamino)butanethioate Openeye Name: S-(p-tolyl) 2-(benzyloxycarbonylamino)-4-phenyl-butanethioate CAS Name: 4-phenyl-2-(phenylmethoxycarbonylamino)butanethioic acid S-(4-methylphenyl) ester IUPAC Name: S-(4-methylphenyl) 4-phenyl-2-(phenylmethoxycarbonylamino)butanethioate Traditional Name: 2-(benzyloxycarbonylamino)-4-phenyl-butanethioic acid S-(p-tolyl) ester Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(=O)C(CCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SC(=O)C(CCC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C25H25NO3S/c1-19-12-15-22(16-13-19)30-24(27)23(17-14-20-8-4-2-5-9-20)26-25(28)29-18-21-10-6-3-7-11-21/h2-13,15-16,23H,14,17-18H2,1H3,(H,26,28)