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

Systemtic Name: 2-[6-azanyl-4-oxidanylidene-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylic acid Openeye Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylic acid CAS Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylic acid IUPAC Name: 2-[6-amino-4-oxo-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylic acid Traditional Name: 2-[6-amino-4-keto-2-(trifluoromethyl)-4aH-quinazolin-3-ium-3-yl]-1,3-benzothiazole-6-carboxylic acid Formula: C17H10F3N4O3S+ MolecularWeight: 407.34651

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=[N+](C(=O)C2C=C1N)C3=NC4=C(S3)C=C(C=C4)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC2=NC(=[N+](C(=O)C2C=C1N)C3=NC4=C(S3)C=C(C=C4)C(=O)O)C(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/h1-6,9H,21H2/p+1