[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C12H8BrNO4S MolecularWeight: 342.16522

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)OCC(=O)C2=CC=C(S2)Br)[O-]

InChI

InChI=1S/C12H8BrNO4S/c13-11-2-1-10(19-11)9(15)7-18-12(16)8-3-5-14(17)6-4-8/h1-6H,7H2