diethyl 3-methyl-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate CAS Name: 3-methyl-5-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1H-pyrrole-2,4-dicarboxylic acid diethyl ester Formula: C17H20N2O5S MolecularWeight: 364.4161

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)OCC)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C17H20N2O5S/c1-4-23-16(20)14-11(3)15(17(21)24-5-2)18-12(14)10-25-13-8-6-7-9-19(13)22/h6-9,18H,4-5,10H2,1-3H3