[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 5-methoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-methoxy-3-methyl-2-benzofurancarboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-methoxy-3-methyl-coumarilic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)OC)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C21H18N2O5S/c1-13-15-11-14(26-2)7-8-17(15)28-20(13)21(25)27-12-19(24)23-16-5-3-4-6-18(16)29-10-9-22/h3-8,11H,10,12H2,1-2H3,(H,23,24)