(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-5-methylsulfanyl-benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-chloranyl-5-methylsulfanyl-benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-chloro-5-methylsulfanyl-benzoate CAS Name: 2-chloro-5-(methylthio)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-chloro-5-methylsulfanylbenzoate Traditional Name: 2-chloro-5-(methylthio)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H13ClN2O3S MolecularWeight: 324.78262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13ClN2O3S/c1-8(17)11(6-16)13(18)7-20-14(19)10-5-9(21-2)3-4-12(10)15/h3-5,11,17H,7H2,1-2H3