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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [3-(3-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=CSC=C3)[O-]

Isomeric SMILES

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

InChI

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