[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C17H19N3O4 MolecularWeight: 329.35046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)C(C#N)C(=N)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)OCC(=O)[C@H](C#N)C(=N)C)C

InChI

InChI=1S/C17H19N3O4/c1-10-4-5-13(6-11(10)2)17(23)20-8-16(22)24-9-15(21)14(7-18)12(3)19/h4-6,14,19H,8-9H2,1-3H3,(H,20,23)/t14-/m1/s1