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

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C19H23N3O4 MolecularWeight: 357.40362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)C(=C(C)N)C#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)/C(=C(\C)/N)/C#N

InChI

InChI=1S/C19H23N3O4/c1-11(2)17(22-18(24)14-8-6-5-7-12(14)3)19(25)26-10-16(23)15(9-20)13(4)21/h5-8,11,17H,10,21H2,1-4H3,(H,22,24)/b15-13+/t17-/m0/s1