(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C13H9N3O4S MolecularWeight: 303.29326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=NC(=NO2)C3=CC=CS3)[O-]

InChI

InChI=1S/C13H9N3O4S/c17-13(9-4-1-2-6-16(9)18)19-8-11-14-12(15-20-11)10-5-3-7-21-10/h1-7H,8H2