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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)CCCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C16H17ClN2O3S/c1-11(19)14(9-18)15(20)10-22-16(21)3-2-8-23-13-6-4-12(17)5-7-13/h4-7,14,19H,2-3,8,10H2,1H3