[(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [(3S)-4-azanylidene-3-cyano-2-oxidanylidene-pentyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [(3S)-3-cyano-4-imino-2-oxo-pentyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [(3S)-3-cyano-4-imino-2-oxopentyl] ester IUPAC Name: [(3S)-3-cyano-4-imino-2-oxopentyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [(3S)-3-cyano-4-imino-2-keto-pentyl] ester Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C(C#N)C(=N)C)SC1=CC=CC=C1

Isomeric SMILES

C[C@H](C(=O)OCC(=O)[C@H](C#N)C(=N)C)SC1=CC=CC=C1

InChI

InChI=1S/C15H16N2O3S/c1-10(17)13(8-16)14(18)9-20-15(19)11(2)21-12-6-4-3-5-7-12/h3-7,11,13,17H,9H2,1-2H3/t11-,13-/m1/s1