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

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] 2-[(4-methylphenyl)carbonylamino]ethanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] 2-[(4-methylbenzoyl)amino]acetate CAS Name: 2-[[(4-methylphenyl)-oxomethyl]amino]acetic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] 2-[(4-methylbenzoyl)amino]acetate Traditional Name: 2-(p-toluoylamino)acetic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4/c1-10-3-5-12(6-4-10)16(22)19-8-15(21)23-9-14(20)13(7-17)11(2)18/h3-6,13,18H,8-9H2,1-2H3,(H,19,22)/t13-/m1/s1