ethyl 7-ethoxy-1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate

Systemtic Name: ethyl 7-ethoxy-1-oxidanidyl-3-(thiophen-2-ylcarbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Openeye Name: ethyl 7-ethoxy-1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate CAS Name: 7-ethoxy-1-oxido-3-[[oxo(thiophen-2-yl)methoxy]methyl]-2-quinoxalin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 7-ethoxy-1-oxido-3-(thiophene-2-carbonyloxymethyl)quinoxalin-1-ium-2-carboxylate Traditional Name: 7-ethoxy-1-oxido-3-(2-thenoyloxymethyl)quinoxalin-1-ium-2-carboxylic acid ethyl ester Formula: C19H18N2O6S MolecularWeight: 402.42102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)OCC)COC(=O)C3=CC=CS3

InChI

InChI=1S/C19H18N2O6S/c1-3-25-12-7-8-13-15(10-12)21(24)17(19(23)26-4-2)14(20-13)11-27-18(22)16-6-5-9-28-16/h5-10H,3-4,11H2,1-2H3