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

Systemtic Name: O4-ethyl O2-[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-ethyl O2-[2-(2-methylsulfanylanilino)-2-oxo-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-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: 4-O-ethyl 2-O-[2-(2-methylsulfanylanilino)-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-(methylthio)anilino]ethyl] ester Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC=CC=C2SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC(=O)NC2=CC=CC=C2SC)C

InChI

InChI=1S/C19H22N2O5S/c1-5-25-18(23)16-11(2)17(20-12(16)3)19(24)26-10-15(22)21-13-8-6-7-9-14(13)27-4/h6-9,20H,5,10H2,1-4H3,(H,21,22)