2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]-1,3-benzothiazole-6-carboxylic acid

Systemtic Name: 2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)quinazolin-3-yl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)-3-quinazolinyl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)quinazolin-3-yl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[6-amino-4-keto-2-(trifluoromethyl)quinazolin-3-yl]-1,3-benzothiazole-6-carboxylic acid Formula: C17H9F3N4O3S MolecularWeight: 406.33857

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)O)SC(=N2)N3C(=O)C4=C(C=CC(=C4)N)N=C3C(F)(F)F

Isomeric SMILES

C1=CC2=C(C=C1C(=O)O)SC(=N2)N3C(=O)C4=C(C=CC(=C4)N)N=C3C(F)(F)F

InChI

InChI=1S/C17H9F3N4O3S/c18-17(19,20)15-22-10-4-2-8(21)6-9(10)13(25)24(15)16-23-11-3-1-7(14(26)27)5-12(11)28-16/h1-6H,21H2,(H,26,27)