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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 2-methylsulfanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC=CC=C1SC

InChI

InChI=1S/C14H14N2O3S/c1-9(16)11(7-15)12(17)8-19-14(18)10-5-3-4-6-13(10)20-2/h3-6,11,16H,8H2,1-2H3