(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3S/c1-10(18)13(8-17)14(19)9-21-15(20)6-7-22-12-4-2-11(16)3-5-12/h2-5,13,18H,6-7,9H2,1H3