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

Systemtic Name: diethyl 5-[[2-[(2-chlorophenyl)amino]-2-oxidanylidene-ethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(2-chloroanilino)-2-oxo-ethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[[2-(2-chloroanilino)-2-oxoethyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(2-chloroanilino)-2-oxoethyl]sulfanylmethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[[2-(2-chloroanilino)-2-keto-ethyl]thio]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C20H23ClN2O5S MolecularWeight: 438.92502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)NC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSCC(=O)NC2=CC=CC=C2Cl

InChI

InChI=1S/C20H23ClN2O5S/c1-4-27-19(25)17-12(3)18(20(26)28-5-2)23-15(17)10-29-11-16(24)22-14-9-7-6-8-13(14)21/h6-9,23H,4-5,10-11H2,1-3H3,(H,22,24)