2-[3-(3-acetyloxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[3-(3-acetyloxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-(3-acetoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[3-(3-acetyloxyphenyl)-5-(trifluoromethyl)-1-pyrazolyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-(3-acetyloxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[3-(3-acetoxyphenyl)-5-(trifluoromethyl)pyrazol-1-yl]thiazole-4-carboxylic acid Formula: C16H10F3N3O4S MolecularWeight: 397.32851

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC(=C1)C2=NN(C(=C2)C(F)(F)F)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CC(=O)OC1=CC=CC(=C1)C2=NN(C(=C2)C(F)(F)F)C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C16H10F3N3O4S/c1-8(23)26-10-4-2-3-9(5-10)11-6-13(16(17,18)19)22(21-11)15-20-12(7-27-15)14(24)25/h2-7H,1H3,(H,24,25)