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

Systemtic Name: 3-[(4-methyl-2-oxidanyl-phenyl)carbonyl-propan-2-yl-amino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[(2-hydroxy-4-methyl-benzoyl)-isopropyl-amino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid CAS Name: 3-[[(2-hydroxy-4-methylphenyl)-oxomethyl]-propan-2-ylamino]-5-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(2-hydroxy-4-methylbenzoyl)-propan-2-ylamino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[(2-hydroxy-4-methyl-benzoyl)-isopropyl-amino]-5-[3-(trifluoromethyl)phenyl]-2-thenoic acid Formula: C23H20F3NO4S MolecularWeight: 463.46941

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O)C(C)C)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(=O)N(C2=C(SC(=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O)C(C)C)O

InChI

InChI=1S/C23H20F3NO4S/c1-12(2)27(21(29)16-8-7-13(3)9-18(16)28)17-11-19(32-20(17)22(30)31)14-5-4-6-15(10-14)23(24,25)26/h4-12,28H,1-3H3,(H,30,31)