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

Systemtic Name: O4-ethyl O2-[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl 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-ethyl ester O2-[2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 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 O4-ethyl ester O2-[2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C21H26N2O5S MolecularWeight: 418.50654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)C)C

InChI

InChI=1S/C21H26N2O5S/c1-5-27-20(25)18-14(3)19(23-15(18)4)21(26)28-12-17(24)22-10-11-29-16-8-6-13(2)7-9-16/h6-9,23H,5,10-12H2,1-4H3,(H,22,24)