[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

Isomeric SMILES

COC1=CC(=CC2=C1OCCO2)C(=O)OCC(=O)NC3=CC=CC=C3SCC#N

InChI

InChI=1S/C20H18N2O6S/c1-25-15-10-13(11-16-19(15)27-8-7-26-16)20(24)28-12-18(23)22-14-4-2-3-5-17(14)29-9-6-21/h2-5,10-11H,7-9,12H2,1H3,(H,22,23)