diethyl 3-methyl-5-[2-(phenylcarbonylsulfanyl)ethanoyloxymethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(phenylcarbonylsulfanyl)ethanoyloxymethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 5-[(2-benzoylsulfanylacetyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate CAS Name: 5-[[2-(benzoylthio)-1-oxoethoxy]methyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-benzoylsulfanylacetyl)oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylate Traditional Name: 5-[[2-(benzoylthio)acetyl]oxymethyl]-3-methyl-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-4-27-19(24)17-13(3)18(20(25)28-5-2)22-15(17)11-29-16(23)12-30-21(26)14-9-7-6-8-10-14/h6-10,22H,4-5,11-12H2,1-3H3