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

Systemtic Name: 3-[cyclopropylcarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[cyclopropanecarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[[cyclopropyl(oxo)methyl]-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[cyclopropanecarbonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[cyclopropanecarbonyl-[4-(trifluoromethyl)benzyl]amino]-5-phenyl-2-thenoic acid Formula: C23H18F3NO3S MolecularWeight: 445.45413

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC1C(=O)N(CC2=CC=C(C=C2)C(F)(F)F)C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C23H18F3NO3S/c24-23(25,26)17-10-6-14(7-11-17)13-27(21(28)16-8-9-16)18-12-19(31-20(18)22(29)30)15-4-2-1-3-5-15/h1-7,10-12,16H,8-9,13H2,(H,29,30)