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

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 4-cyanobenzoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C17H14N2O3S MolecularWeight: 326.36966

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)C#N

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)C2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H14N2O3S/c1-23-15-5-3-2-4-14(15)19-16(20)11-22-17(21)13-8-6-12(10-18)7-9-13/h2-9H,11H2,1H3,(H,19,20)