[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C17H13NO3S MolecularWeight: 311.35502

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13NO3S/c1-22-15-8-6-13(7-9-15)16(19)11-21-17(20)14-4-2-12(10-18)3-5-14/h2-9H,11H2,1H3