[2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-methylphenyl)-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(p-tolyl)ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [2-(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylphenyl)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [2-keto-2-(p-tolyl)ethyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-15-8-10-16(11-9-15)19(23)14-26-21(25)18(12-13-27-2)22-20(24)17-6-4-3-5-7-17/h3-11,18H,12-14H2,1-2H3,(H,22,24)/t18-/m0/s1