4-azanyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylic acid

Systemtic Name: 4-azanyl-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylic acid Openeye Name: 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]isothiazole-5-carboxylic acid CAS Name: 4-amino-3-[oxo-[3-(trifluoromethyl)anilino]methyl]-5-isothiazolecarboxylic acid IUPAC Name: 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylic acid Traditional Name: 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]isothiazole-5-carboxylic acid Formula: C12H8F3N3O3S MolecularWeight: 331.27043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)C2=NSC(=C2N)C(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)C2=NSC(=C2N)C(=O)O)C(F)(F)F

InChI

InChI=1S/C12H8F3N3O3S/c13-12(14,15)5-2-1-3-6(4-5)17-10(19)8-7(16)9(11(20)21)22-18-8/h1-4H,16H2,(H,17,19)(H,20,21)