methyl 2-cyano-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate

Systemtic Name: methyl 2-cyano-4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoate Openeye Name: methyl 2-cyano-4-(4-methylsulfanylphenyl)-4-oxo-butanoate CAS Name: 2-cyano-4-[4-(methylthio)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 2-cyano-4-(4-methylsulfanylphenyl)-4-oxobutanoate Traditional Name: 2-cyano-4-keto-4-[4-(methylthio)phenyl]butyric acid methyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S/c1-17-13(16)10(8-14)7-12(15)9-3-5-11(18-2)6-4-9/h3-6,10H,7H2,1-2H3