(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenylsulfanylethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-phenylsulfanylethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=CC=C1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSC1=CC=CC=C1

InChI

InChI=1S/C14H14N2O3S/c1-10(16)12(7-15)13(17)8-19-14(18)9-20-11-5-3-2-4-6-11/h2-6,12,16H,8-9H2,1H3