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

Systemtic Name: 3-[(4-methylphenyl)carbonyl-propan-2-yl-amino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylbenzoyl)amino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]-propan-2-ylamino]-5-[3-(trifluoromethyl)phenyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[(4-methylbenzoyl)-propan-2-ylamino]-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxylic acid Traditional Name: 3-[isopropyl(p-toluoyl)amino]-5-[3-(trifluoromethyl)phenyl]-2-thenoic acid Formula: C23H20F3NO3S MolecularWeight: 447.47001

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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

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

InChI

InChI=1S/C23H20F3NO3S/c1-13(2)27(21(28)15-9-7-14(3)8-10-15)18-12-19(31-20(18)22(29)30)16-5-4-6-17(11-16)23(24,25)26/h4-13H,1-3H3,(H,29,30)