[2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [2-[(4-fluoranylphenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [2-[(4-fluorophenoxy)methyl]-4-thiazolyl]methyl ester IUPAC Name: [2-[(4-fluorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [2-[(4-fluorophenoxy)methyl]thiazol-4-yl]methyl ester Formula: C17H13FN2O4S MolecularWeight: 360.359523

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)F)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=CSC(=N2)COC3=CC=C(C=C3)F)[O-]

InChI

InChI=1S/C17H13FN2O4S/c18-12-4-6-14(7-5-12)23-10-16-19-13(11-25-16)9-24-17(21)15-3-1-2-8-20(15)22/h1-8,11H,9-10H2