[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] (2S)-2-[(3-methylphenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] (2S)-2-[(3-methylbenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-(m-toluoylamino)butyric acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC(=CC=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC(=CC=C2)C

InChI

InChI=1S/C23H27NO4S/c1-4-17-8-10-18(11-9-17)21(25)15-28-23(27)20(12-13-29-3)24-22(26)19-7-5-6-16(2)14-19/h5-11,14,20H,4,12-13,15H2,1-3H3,(H,24,26)/t20-/m0/s1