methyl 1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 1-oxido-3-[[oxo(thiophen-2-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 1-oxido-3-(2-thenoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H12N2O5S MolecularWeight: 344.34188

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CS3)[O-]

Isomeric SMILES

COC(=O)C1=[N+](C2=CC=CC=C2N=C1COC(=O)C3=CC=CS3)[O-]

InChI

InChI=1S/C16H12N2O5S/c1-22-16(20)14-11(9-23-15(19)13-7-4-8-24-13)17-10-5-2-3-6-12(10)18(14)21/h2-8H,9H2,1H3