[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-2-[(2-chlorophenyl)carbonylamino]-3-methyl-butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]-3-methylbutanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]-3-methyl-butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C18H20ClN3O4 MolecularWeight: 377.8221

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(=C(C)N)C#N)NC(=O)C1=CC=CC=C1Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)/C(=C(\C)/N)/C#N)NC(=O)C1=CC=CC=C1Cl

InChI

InChI=1S/C18H20ClN3O4/c1-10(2)16(22-17(24)12-6-4-5-7-14(12)19)18(25)26-9-15(23)13(8-20)11(3)21/h4-7,10,16H,9,21H2,1-3H3,(H,22,24)/b13-11+/t16-/m0/s1