[4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl thiophene-2-carboxylate

Systemtic Name: [4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl thiophene-2-carboxylate Openeye Name: (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (3-benzoyl-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-benzoyl-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O4S/c24-20(14-7-2-1-3-8-14)19-16(13-27-21(25)18-11-6-12-28-18)22-15-9-4-5-10-17(15)23(19)26/h1-12H,13H2