(2-oxidanylidene-2-thiophen-2-yl-ethyl) 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C12H9NO4S MolecularWeight: 263.26916

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

Isomeric SMILES

C1=CSC(=C1)C(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

InChI

InChI=1S/C12H9NO4S/c14-10(11-2-1-7-18-11)8-17-12(15)9-3-5-13(16)6-4-9/h1-7H,8H2