O4-methyl O2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: O4-methyl O2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O4-methyl ester O2-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester O4-methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=C(C(=C(N2)C)C(=O)OC)C

InChI

InChI=1S/C20H24N2O5S/c1-12-5-7-15(8-6-12)28-10-9-21-16(23)11-27-20(25)18-13(2)17(14(3)22-18)19(24)26-4/h5-8,22H,9-11H2,1-4H3,(H,21,23)