[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 1-benzofuran-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H14N2O4S MolecularWeight: 366.39046

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C19H14N2O4S/c20-9-10-26-17-8-4-2-6-14(17)21-18(22)12-24-19(23)16-11-13-5-1-3-7-15(13)25-16/h1-8,11H,10,12H2,(H,21,22)