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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCSC1=CC=CC=C1

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCSC1=CC=CC=C1

InChI

InChI=1S/C15H16N2O3S/c1-11(17)13(9-16)14(18)10-20-15(19)7-8-21-12-5-3-2-4-6-12/h2-6,13,17H,7-8,10H2,1H3