[(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [(1S)-2-[(3-methoxyphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfanylbenzoate Openeye Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenyl-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1S)-2-keto-2-(m-anisidino)-1-phenyl-ethyl] ester Formula: C23H21NO4S MolecularWeight: 407.48214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C23H21NO4S/c1-27-19-10-6-9-18(15-19)24-22(25)21(16-7-4-3-5-8-16)28-23(26)17-11-13-20(29-2)14-12-17/h3-15,21H,1-2H3,(H,24,25)/t21-/m0/s1