dimethyl 5-[2,5-dimethyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2,5-dimethyl-3-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2,5-dimethyl-3-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate CAS Name: 5-[2,5-dimethyl-3-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1-pyrrolyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2,5-dimethyl-3-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]pyrrol-1-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[2,5-dimethyl-3-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]pyrrol-1-yl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H22N2O6S MolecularWeight: 454.49558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC(=C2)C(=O)OC)C(=O)OC)C)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C23H22N2O6S/c1-14-9-19(20(26)13-32-21-7-5-6-8-24(21)29)15(2)25(14)18-11-16(22(27)30-3)10-17(12-18)23(28)31-4/h5-12H,13H2,1-4H3