[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 3,4,5-trimethoxybenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C20H20N2O6S/c1-25-15-10-13(11-16(26-2)19(15)27-3)20(24)28-12-18(23)22-14-6-4-5-7-17(14)29-9-8-21/h4-7,10-11H,9,12H2,1-3H3,(H,22,23)