N-(furan-2-ylmethyl)-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide

Systemtic Name: N-(furan-2-ylmethyl)-7-nitro-3-oxidanidyl-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Openeye Name: N-(2-furylmethyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide CAS Name: N-(2-furanylmethyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide IUPAC Name: N-(furan-2-ylmethyl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Traditional Name: N-(2-furfuryl)-7-nitro-3-oxido-5-(trifluoromethyl)-1,3-benzothiazol-3-ium-2-carboxamide Formula: C14H8F3N3O5S MolecularWeight: 387.29063

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)CNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=COC(=C1)CNC(=O)C2=[N+](C3=C(S2)C(=CC(=C3)C(F)(F)F)[N+](=O)[O-])[O-]

InChI

InChI=1S/C14H8F3N3O5S/c15-14(16,17)7-4-9-11(10(5-7)20(23)24)26-13(19(9)22)12(21)18-6-8-2-1-3-25-8/h1-5H,6H2,(H,18,21)