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

Systemtic Name: O1-methyl O4-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] benzene-1,4-dicarboxylate Openeye Name: O1-methyl O4-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] benzene-1,4-dicarboxylate CAS Name: benzene-1,4-dicarboxylic acid O1-methyl ester O4-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: 1-O-methyl 4-O-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] benzene-1,4-dicarboxylate Traditional Name: benzene-1,4-dicarboxylic acid O4-[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester O1-methyl ester Formula: C20H21NO5S MolecularWeight: 387.44944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H21NO5S/c1-14-3-9-17(10-4-14)27-12-11-21-18(22)13-26-20(24)16-7-5-15(6-8-16)19(23)25-2/h3-10H,11-13H2,1-2H3,(H,21,22)