O4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-[[2-(cyanomethylsulfanyl)phenyl]amino]-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[2-(cyanomethylthio)anilino]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-[2-(cyanomethylsulfanyl)anilino]-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[2-(cyanomethylthio)anilino]-2-keto-ethyl] ester O1-methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O5S/c1-25-18(23)13-6-8-14(9-7-13)19(24)26-12-17(22)21-15-4-2-3-5-16(15)27-11-10-20/h2-9H,11-12H2,1H3,(H,21,22)