[5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate

Systemtic Name: [5-(5-bromanylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidanidylpyridin-1-ium-2-carboxylate Openeye Name: [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate CAS Name: 1-oxido-2-pyridin-1-iumcarboxylic acid [5-(5-bromo-2-thiophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(5-bromothiophen-2-yl)-1,3,4-oxadiazol-2-yl]methyl 1-oxidopyridin-1-ium-2-carboxylate Traditional Name: 1-oxidopyridin-1-ium-2-carboxylic acid [5-(5-bromo-2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C13H8BrN3O4S MolecularWeight: 382.18932

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)[O-]

Isomeric SMILES

C1=CC=[N+](C(=C1)C(=O)OCC2=NN=C(O2)C3=CC=C(S3)Br)[O-]

InChI

InChI=1S/C13H8BrN3O4S/c14-10-5-4-9(22-10)12-16-15-11(21-12)7-20-13(18)8-3-1-2-6-17(8)19/h1-6H,7H2