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

Systemtic Name: O4-methyl O2-[2-oxidanylidene-2-[(2-phenylsulfanylphenyl)amino]ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: O4-methyl O2-[2-oxo-2-(2-phenylsulfanylanilino)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-oxo-2-[2-(phenylthio)anilino]ethyl] ester IUPAC Name: 4-O-methyl 2-O-[2-oxo-2-(2-phenylsulfanylanilino)ethyl] 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylic acid O2-[2-keto-2-[2-(phenylthio)anilino]ethyl] ester O4-methyl ester Formula: C23H22N2O5S MolecularWeight: 438.49618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)OCC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O5S/c1-14-20(22(27)29-3)15(2)24-21(14)23(28)30-13-19(26)25-17-11-7-8-12-18(17)31-16-9-5-4-6-10-16/h4-12,24H,13H2,1-3H3,(H,25,26)