[2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [2-[(3,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [2-(3,4-dimethylanilino)-2-oxo-ethyl] (2S)-2-phenyl-2-phenylsulfanyl-acetate CAS Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-(3,4-dimethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylanilino)-2-oxoethyl] (2S)-2-phenyl-2-phenylsulfanylacetate Traditional Name: (2S)-2-phenyl-2-(phenylthio)acetic acid [2-(3,4-dimethylanilino)-2-keto-ethyl] ester Formula: C24H23NO3S MolecularWeight: 405.50932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)COC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3)C

InChI

InChI=1S/C24H23NO3S/c1-17-13-14-20(15-18(17)2)25-22(26)16-28-24(27)23(19-9-5-3-6-10-19)29-21-11-7-4-8-12-21/h3-15,23H,16H2,1-2H3,(H,25,26)/t23-/m0/s1