O1-methyl O4-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate

Systemtic Name: O1-methyl O4-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-(3-methylsulfanylanilino)-2-oxo-ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-(3-methylsulfanylanilino)-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-[3-(methylthio)anilino]ethyl] ester O1-methyl ester Formula: C18H17NO5S MolecularWeight: 359.39628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=CC(=CC=C2)SC

InChI

InChI=1S/C18H17NO5S/c1-23-17(21)12-6-8-13(9-7-12)18(22)24-11-16(20)19-14-4-3-5-15(10-14)25-2/h3-10H,11H2,1-2H3,(H,19,20)