[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,5-dimethoxybenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3,5-dimethoxybenzoate CAS Name: 3,5-dimethoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3,5-dimethoxybenzoate Traditional Name: 3,5-dimethoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)OC

Isomeric SMILES

COC1=CC(=CC(=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)OC

InChI

InChI=1S/C19H18N2O5S/c1-24-14-9-13(10-15(11-14)25-2)19(23)26-12-18(22)21-16-5-3-4-6-17(16)27-8-7-20/h3-6,9-11H,8,12H2,1-2H3,(H,21,22)