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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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