1-oxidanylidene-8-(trifluoromethyl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid

Systemtic Name: 1-oxidanylidene-8-(trifluoromethyl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid Openeye Name: 1-oxo-8-(trifluoromethyl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid CAS Name: 1-oxo-8-(trifluoromethyl)-4-pyrimido[6,1-b][1,3]benzothiazolecarboxylic acid IUPAC Name: 1-oxo-8-(trifluoromethyl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid Traditional Name: 1-keto-8-(trifluoromethyl)pyrimido[6,1-b][1,3]benzothiazole-4-carboxylic acid Formula: C12H5F3N2O3S MolecularWeight: 314.23991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C=NC3=O)C(=O)O)S2

Isomeric SMILES

C1=CC2=C(C=C1C(F)(F)F)N3C(=C(C=NC3=O)C(=O)O)S2

InChI

InChI=1S/C12H5F3N2O3S/c13-12(14,15)5-1-2-8-7(3-5)17-9(21-8)6(10(18)19)4-16-11(17)20/h1-4H,(H,18,19)