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

Systemtic Name: [6-methoxy-4-oxidanidyl-3-(phenylcarbonyl)quinoxalin-4-ium-2-yl]methyl thiophene-2-carboxylate Openeye Name: (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (3-benzoyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-benzoyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-benzoyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C22H16N2O5S MolecularWeight: 420.43784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(C(=[N+]2[O-])C(=O)C3=CC=CC=C3)COC(=O)C4=CC=CS4

InChI

InChI=1S/C22H16N2O5S/c1-28-15-9-10-16-18(12-15)24(27)20(21(25)14-6-3-2-4-7-14)17(23-16)13-29-22(26)19-8-5-11-30-19/h2-12H,13H2,1H3