O4-[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate

Systemtic Name: O4-[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxidanylidene-ethyl] O1-methyl benzene-1,4-dicarboxylate Openeye Name: O4-[2-(3-acetamido-4-methylsulfanyl-phenyl)-2-oxo-ethyl] O1-methyl benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O4-[2-[3-acetamido-4-(methylthio)phenyl]-2-oxoethyl] ester O1-methyl ester IUPAC Name: 4-O-[2-(3-acetamido-4-methylsulfanylphenyl)-2-oxoethyl] 1-O-methyl benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-[3-acetamido-4-(methylthio)phenyl]-2-keto-ethyl] ester O1-methyl ester Formula: C20H19NO6S MolecularWeight: 401.43296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC)SC

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)C(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC)SC

InChI

InChI=1S/C20H19NO6S/c1-12(22)21-16-10-15(8-9-18(16)28-3)17(23)11-27-20(25)14-6-4-13(5-7-14)19(24)26-2/h4-10H,11H2,1-3H3,(H,21,22)