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

Systemtic Name: O1-methyl O4-[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(4-methylsulfanylphenyl)-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(4-methylsulfanylphenyl)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-[4-(methylthio)phenyl]ethyl] ester O1-methyl ester Formula: C18H16O5S MolecularWeight: 344.38164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C18H16O5S/c1-22-17(20)13-3-5-14(6-4-13)18(21)23-11-16(19)12-7-9-15(24-2)10-8-12/h3-10H,11H2,1-2H3