methyl 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxidanidyl-1-oxidanylidene-quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxido-1-oxo-quinoxalin-1-ium-2-carboxylate CAS Name: 3-[[(1-methyl-2-imidazolyl)thio]methyl]-4-oxido-1-oxo-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 3-[(1-methylimidazol-2-yl)sulfanylmethyl]-4-oxido-1-oxoquinoxalin-1-ium-2-carboxylate Traditional Name: 1-keto-3-[[(1-methylimidazol-2-yl)thio]methyl]-4-oxido-quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C15H14N4O4S MolecularWeight: 346.36106

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC2=C([N+](=O)C3=CC=CC=C3N2[O-])C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC2=C([N+](=O)C3=CC=CC=C3N2[O-])C(=O)OC

InChI

InChI=1S/C15H14N4O4S/c1-17-8-7-16-15(17)24-9-12-13(14(20)23-2)19(22)11-6-4-3-5-10(11)18(12)21/h3-8H,9H2,1-2H3