[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2S)-2-[(2-chlorophenyl)carbonylamino]propanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(2-chlorophenyl)-oxomethyl]amino]propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2S)-2-[(2-chlorobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(2-chlorobenzoyl)amino]propionic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C16H16ClN3O4 MolecularWeight: 349.76894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16ClN3O4/c1-9(19)12(7-18)14(21)8-24-16(23)10(2)20-15(22)11-5-3-4-6-13(11)17/h3-6,10,12,19H,8H2,1-2H3,(H,20,22)/t10-,12+/m0/s1