ethyl 3-cyano-3-(4-methylsulfanylphenyl)-2-oxidanylidene-propanoate

Systemtic Name: ethyl 3-cyano-3-(4-methylsulfanylphenyl)-2-oxidanylidene-propanoate Openeye Name: ethyl 3-cyano-3-(4-methylsulfanylphenyl)-2-oxo-propanoate CAS Name: 3-cyano-3-[4-(methylthio)phenyl]-2-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-cyano-3-(4-methylsulfanylphenyl)-2-oxopropanoate Traditional Name: 3-cyano-2-keto-3-[4-(methylthio)phenyl]propionic acid ethyl ester Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13NO3S/c1-3-17-13(16)12(15)11(8-14)9-4-6-10(18-2)7-5-9/h4-7,11H,3H2,1-2H3