methyl 4-[(4-oxidanidyl-2-oxidanylidene-3-thiophen-2-yl-quinoxalin-4-ium-1-yl)oxymethyl]benzoate

Systemtic Name: methyl 4-[(4-oxidanidyl-2-oxidanylidene-3-thiophen-2-yl-quinoxalin-4-ium-1-yl)oxymethyl]benzoate Openeye Name: methyl 4-[[4-oxido-2-oxo-3-(2-thienyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoate CAS Name: 4-[(4-oxido-2-oxo-3-thiophen-2-yl-1-quinoxalin-4-iumyl)oxymethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-oxido-2-oxo-3-thiophen-2-ylquinoxalin-4-ium-1-yl)oxymethyl]benzoate Traditional Name: 4-[[2-keto-4-oxido-3-(2-thienyl)quinoxalin-4-ium-1-yl]oxymethyl]benzoic acid methyl ester Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CS4)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CON2C3=CC=CC=C3[N+](=C(C2=O)C4=CC=CS4)[O-]

InChI

InChI=1S/C21H16N2O5S/c1-27-21(25)15-10-8-14(9-11-15)13-28-23-17-6-3-2-5-16(17)22(26)19(20(23)24)18-7-4-12-29-18/h2-12H,13H2,1H3