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

Systemtic Name: 5-phenyl-3-[propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]thiophene-2-carboxylic acid Openeye Name: 5-phenyl-3-[propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]thiophene-2-carboxylic acid CAS Name: 3-[1-oxopropyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 5-phenyl-3-[propanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]thiophene-2-carboxylic acid Traditional Name: 5-phenyl-3-[propionyl-[4-(trifluoromethyl)benzyl]amino]-2-thenoic acid Formula: C22H18F3NO3S MolecularWeight: 433.44343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(=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/C22H18F3NO3S/c1-2-19(27)26(13-14-8-10-16(11-9-14)22(23,24)25)17-12-18(30-20(17)21(28)29)15-6-4-3-5-7-15/h3-12H,2,13H2,1H3,(H,28,29)