[(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [(1S)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-methylsulfanylbenzoate Openeye Name: [(1S)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [(1S)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl] ester Formula: C24H23NO4S MolecularWeight: 421.50872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C24H23NO4S/c1-16-9-14-21(28-2)20(15-16)25-23(26)22(17-7-5-4-6-8-17)29-24(27)18-10-12-19(30-3)13-11-18/h4-15,22H,1-3H3,(H,25,26)/t22-/m0/s1