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

Systemtic Name: 3-[ethanoyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid Openeye Name: 3-[acetyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-thiophene-2-carboxylic acid CAS Name: 3-[acetyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenyl-2-thiophenecarboxylic acid IUPAC Name: 3-[acetyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-5-phenylthiophene-2-carboxylic acid Traditional Name: 3-[acetyl-[4-(trifluoromethyl)benzyl]amino]-5-phenyl-2-thenoic acid Formula: C21H16F3NO3S MolecularWeight: 419.41685

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Descriptors Computed from Structure

Canonical SMILES:

CC(=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(=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/C21H16F3NO3S/c1-13(26)25(12-14-7-9-16(10-8-14)21(22,23)24)17-11-18(29-19(17)20(27)28)15-5-3-2-4-6-15/h2-11H,12H2,1H3,(H,27,28)