(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-[(4-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-[(4-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(4-chlorophenyl)methylthio]acetic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-[(4-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-chlorobenzyl)thio]acetic 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)CSCC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CSCC1=CC=C(C=C1)Cl

InChI

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