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

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-methylsulfanylbenzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-methylsulfanylbenzoate Traditional Name: 4-(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=C(C=C1)SC

Isomeric SMILES

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

InChI

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