[2-oxidanylidene-2-(4-propylphenyl)ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-(4-propylphenyl)ethyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(4-propylphenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-oxo-2-(4-propylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(4-propylphenyl)ethyl] (2S)-2-[(2-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-keto-2-(4-propylphenyl)ethyl] ester Formula: C23H26ClNO4S MolecularWeight: 447.97484

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)COC(=O)C(CCSC)NC(=O)C2=CC=CC=C2Cl

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)COC(=O)[C@H](CCSC)NC(=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C23H26ClNO4S/c1-3-6-16-9-11-17(12-10-16)21(26)15-29-23(28)20(13-14-30-2)25-22(27)18-7-4-5-8-19(18)24/h4-5,7-12,20H,3,6,13-15H2,1-2H3,(H,25,27)/t20-/m0/s1