ethyl 2-cyano-5-methyl-3-methylsulfanyl-benzoate

Systemtic Name: ethyl 2-cyano-5-methyl-3-methylsulfanyl-benzoate Openeye Name: ethyl 2-cyano-5-methyl-3-methylsulfanyl-benzoate CAS Name: 2-cyano-5-methyl-3-(methylthio)benzoic acid ethyl ester IUPAC Name: ethyl 2-cyano-5-methyl-3-methylsulfanylbenzoate Traditional Name: 2-cyano-5-methyl-3-(methylthio)benzoic acid ethyl ester Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1C#N)SC)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1C#N)SC)C

InChI

InChI=1S/C12H13NO2S/c1-4-15-12(14)9-5-8(2)6-11(16-3)10(9)7-13/h5-6H,4H2,1-3H3