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

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C12H8ClNO4S MolecularWeight: 297.71422

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H8ClNO4S/c13-11-5-4-10(19-11)9(15)7-18-12(16)8-3-1-2-6-14(8)17/h1-6H,7H2