3-[2-methylpropanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[2-methylpropanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[2-methylpropanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[(2-methyl-1-oxopropyl)-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[2-methylpropanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[isobutyryl-[4-(trifluoromethyl)benzyl]amino]-5-phenyl-2-thenoic acid Formula: C23H20F3NO3S MolecularWeight: 447.47001

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20F3NO3S/c1-14(2)21(28)27(13-15-8-10-17(11-9-15)23(24,25)26)18-12-19(31-20(18)22(29)30)16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,29,30)