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

Systemtic Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl] 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-oxo-ethyl] 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl] 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-2-keto-ethyl] ester Formula: C17H12FN3O4S MolecularWeight: 373.358283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C17H12FN3O4S/c18-12-6-4-11(5-7-12)13-10-26-17(19-13)20-15(22)9-25-16(23)14-3-1-2-8-21(14)24/h1-8,10H,9H2,(H,19,20,22)