(3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate

Systemtic Name: (3-ethanoyl-6-methoxy-4-oxidanidyl-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate Openeye Name: (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid (3-acetyl-6-methoxy-4-oxido-2-quinoxalin-4-iumyl)methyl ester IUPAC Name: (3-acetyl-6-methoxy-4-oxidoquinoxalin-4-ium-2-yl)methyl thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid (3-acetyl-6-methoxy-4-oxido-quinoxalin-4-ium-2-yl)methyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14N2O5S/c1-10(20)16-13(9-24-17(21)15-4-3-7-25-15)18-12-6-5-11(23-2)8-14(12)19(16)22/h3-8H,9H2,1-2H3