[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H16N2O3S/c1-24-16-10-6-5-9-15(16)18(22)23-13-17(21)20(12-11-19)14-7-3-2-4-8-14/h2-10H,12-13H2,1H3