[3-methyl-2,6-bis(oxidanylidene)-1-(trifluoromethyl)pyrimidin-1-ium-1-yl] 1,2-benzothiazole-3-carboxylate

Systemtic Name: [3-methyl-2,6-bis(oxidanylidene)-1-(trifluoromethyl)pyrimidin-1-ium-1-yl] 1,2-benzothiazole-3-carboxylate Openeye Name: [3-methyl-2,6-dioxo-1-(trifluoromethyl)pyrimidin-1-ium-1-yl] 1,2-benzothiazole-3-carboxylate CAS Name: 1,2-benzothiazole-3-carboxylic acid [3-methyl-2,6-dioxo-1-(trifluoromethyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: [3-methyl-2,6-dioxo-1-(trifluoromethyl)pyrimidin-1-ium-1-yl] 1,2-benzothiazole-3-carboxylate Traditional Name: 1,2-benzothiazole-3-carboxylic acid [2,6-diketo-3-methyl-1-(trifluoromethyl)pyrimidin-1-ium-1-yl] ester Formula: C14H9F3N3O4S+ MolecularWeight: 372.29917

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC(=O)[N+](C1=O)(C(F)(F)F)OC(=O)C2=NSC3=CC=CC=C32

Isomeric SMILES

CN1C=CC(=O)[N+](C1=O)(C(F)(F)F)OC(=O)C2=NSC3=CC=CC=C32

InChI

InChI=1S/C14H9F3N3O4S/c1-19-7-6-10(21)20(13(19)23,14(15,16)17)24-12(22)11-8-4-2-3-5-9(8)25-18-11/h2-7H,1H3/q+1