[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-4-carboxylate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-4-carboxylate CAS Name: 1-oxido-4-pyridin-1-iumcarboxylic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] 1-oxidopyridin-1-ium-4-carboxylate Traditional Name: 1-oxidopyridin-1-ium-4-carboxylic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[N+](=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)[O-]

Isomeric SMILES

C1=C[N+](=CC=C1C(=O)OCC(=O)NC2=C(C=CS2)C#N)[O-]

InChI

InChI=1S/C13H9N3O4S/c14-7-10-3-6-21-12(10)15-11(17)8-20-13(18)9-1-4-16(19)5-2-9/h1-6H,8H2,(H,15,17)