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

Systemtic Name: [2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] 2,4-dimethoxybenzoate Openeye Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] 2,4-dimethoxybenzoate CAS Name: 2,4-dimethoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate Traditional Name: 2,4-dimethoxybenzoic acid [2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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