3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[[2-fluoranyl-4-(trifluoromethyl)phenyl]carbonyl-propan-2-yl-amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[[2-fluoro-4-(trifluoromethyl)benzoyl]-isopropyl-amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[[2-fluoro-4-(trifluoromethyl)phenyl]-oxomethyl]-propan-2-ylamino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[[2-fluoro-4-(trifluoromethyl)benzoyl]-propan-2-ylamino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[[2-fluoro-4-(trifluoromethyl)benzoyl]-isopropyl-amino]-5-phenyl-2-thenoic acid Formula: C22H17F4NO3S MolecularWeight: 451.433893

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)C(F)(F)F)F

Isomeric SMILES

CC(C)N(C1=C(SC(=C1)C2=CC=CC=C2)C(=O)O)C(=O)C3=C(C=C(C=C3)C(F)(F)F)F

InChI

InChI=1S/C22H17F4NO3S/c1-12(2)27(20(28)15-9-8-14(10-16(15)23)22(24,25)26)17-11-18(31-19(17)21(29)30)13-6-4-3-5-7-13/h3-12H,1-2H3,(H,29,30)