methyl 2,4-dimethyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C15H16N2O4S MolecularWeight: 320.36354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C15H16N2O4S/c1-9-13(15(19)21-3)10(2)16-14(9)11(18)8-22-12-6-4-5-7-17(12)20/h4-7,16H,8H2,1-3H3