diethyl 3-methyl-5-[[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[(2-cumidino-2-keto-ethyl)thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)NC2=CC=C(C=C2)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)NC2=CC=C(C=C2)C(C)C

InChI

InChI=1S/C23H30N2O5S/c1-6-29-22(27)20-15(5)21(23(28)30-7-2)25-18(20)12-31-13-19(26)24-17-10-8-16(9-11-17)14(3)4/h8-11,14,25H,6-7,12-13H2,1-5H3,(H,24,26)