diethyl 3-methyl-5-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(2-methylsulfanylpyridin-3-yl)carbonyloxymethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[2-(methylthio)-3-pyridinyl]-oxomethoxy]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(2-methylsulfanylpyridine-3-carbonyl)oxymethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[2-(methylthio)nicotinoyl]oxymethyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C19H22N2O6S MolecularWeight: 406.45278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O6S/c1-5-25-18(23)14-11(3)15(19(24)26-6-2)21-13(14)10-27-17(22)12-8-7-9-20-16(12)28-4/h7-9,21H,5-6,10H2,1-4H3