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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-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=C(C(=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2SCC#N)OC)OC

Isomeric SMILES

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

InChI

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