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

Systemtic Name: [2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-(4-acetylanilino)-2-oxo-ethyl] (2S)-2-benzamido-4-methylsulfanyl-butanoate CAS Name: (2S)-2-benzamido-4-(methylthio)butanoic acid [2-(4-acetylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylanilino)-2-oxoethyl] (2S)-2-benzamido-4-methylsulfanylbutanoate Traditional Name: (2S)-2-benzamido-4-(methylthio)butyric acid [2-(4-acetylanilino)-2-keto-ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S/c1-15(25)16-8-10-18(11-9-16)23-20(26)14-29-22(28)19(12-13-30-2)24-21(27)17-6-4-3-5-7-17/h3-11,19H,12-14H2,1-2H3,(H,23,26)(H,24,27)/t19-/m0/s1