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

Systemtic Name: [2-(2-ethanoylhydrazinyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-chlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(2-acetylhydrazino)-2-oxo-ethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [2-(acetylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-acetylhydrazinyl)-2-oxoethyl] (2S)-2-[(4-chlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-chlorobenzoyl)amino]-4-(methylthio)butyric acid [2-(N'-acetylhydrazino)-2-keto-ethyl] ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NNC(=O)COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O5S/c1-10(21)19-20-14(22)9-25-16(24)13(7-8-26-2)18-15(23)11-3-5-12(17)6-4-11/h3-6,13H,7-9H2,1-2H3,(H,18,23)(H,19,21)(H,20,22)/t13-/m0/s1