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

Systemtic Name: 2-[3-(4-ethoxyphenyl)-5-oxidanyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[3-(4-ethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]thiazole-4-carboxylic acid CAS Name: 2-[3-(4-ethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-4-thiazolecarboxylic acid IUPAC Name: 2-[3-(4-ethoxyphenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[5-hydroxy-3-p-phenetyl-5-(trifluoromethyl)-2-pyrazolin-1-yl]thiazole-4-carboxylic acid Formula: C16H14F3N3O4S MolecularWeight: 401.36027

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C3=NC(=CS3)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN(C(C2)(C(F)(F)F)O)C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C16H14F3N3O4S/c1-2-26-10-5-3-9(4-6-10)11-7-15(25,16(17,18)19)22(21-11)14-20-12(8-27-14)13(23)24/h3-6,8,25H,2,7H2,1H3,(H,23,24)