[6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl thiophene-2-carboxylate

Systemtic Name: [6,7-bis(chloranyl)-3-ethanoyl-4-oxidanidyl-quinoxalin-4-ium-2-yl]methyl thiophene-2-carboxylate Openeye Name: (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (3-acetyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-acetyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C16H10Cl2N2O4S MolecularWeight: 397.2326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10Cl2N2O4S/c1-8(21)15-12(7-24-16(22)14-3-2-4-25-14)19-11-5-9(17)10(18)6-13(11)20(15)23/h2-6H,7H2,1H3