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

Systemtic Name: [6,7-bis(chloranyl)-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl thiophene-2-carboxylate Openeye Name: (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (3-benzoyl-6,7-dichloro-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6,7-dichloro-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-benzoyl-6,7-dichloro-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H12Cl2N2O4S MolecularWeight: 459.30198

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC(=C(C=C3N=C2COC(=O)C4=CC=CS4)Cl)Cl)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=[N+](C3=CC(=C(C=C3N=C2COC(=O)C4=CC=CS4)Cl)Cl)[O-]

InChI

InChI=1S/C21H12Cl2N2O4S/c22-13-9-15-17(10-14(13)23)25(28)19(20(26)12-5-2-1-3-6-12)16(24-15)11-29-21(27)18-7-4-8-30-18/h1-10H,11H2