methyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: methyl 6,7-bis(chloranyl)-1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: methyl 6,7-dichloro-1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 6,7-dichloro-1-oxido-3-[[oxo(thiophen-2-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl 6,7-dichloro-1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 6,7-dichloro-1-oxido-3-(2-thenoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid methyl ester Formula: C16H10Cl2N2O5S MolecularWeight: 413.232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10Cl2N2O5S/c1-24-16(22)14-11(7-25-15(21)13-3-2-4-26-13)19-10-5-8(17)9(18)6-12(10)20(14)23/h2-6H,7H2,1H3