[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C19H18N2O4S MolecularWeight: 370.42222

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C19H18N2O4S/c1-24-17-12-15(26-2)8-9-16(17)19(23)25-13-18(22)21(11-10-20)14-6-4-3-5-7-14/h3-9,12H,11,13H2,1-2H3