[3-(trifluoromethyl)phenyl]methyl 2-azanyl-4-(4-methylphenyl)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 2-azanyl-4-(4-methylphenyl)-5-phenyl-thiophene-3-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 2-amino-5-phenyl-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-amino-4-(4-methylphenyl)-5-phenyl-3-thiophenecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 2-amino-4-(4-methylphenyl)-5-phenylthiophene-3-carboxylate Traditional Name: 2-amino-5-phenyl-4-(p-tolyl)thiophene-3-carboxylic acid [3-(trifluoromethyl)benzyl] ester Formula: C26H20F3NO2S MolecularWeight: 467.50271

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC3=CC(=CC=C3)C(F)(F)F)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OCC3=CC(=CC=C3)C(F)(F)F)N)C4=CC=CC=C4

InChI

InChI=1S/C26H20F3NO2S/c1-16-10-12-18(13-11-16)21-22(24(30)33-23(21)19-7-3-2-4-8-19)25(31)32-15-17-6-5-9-20(14-17)26(27,28)29/h2-14H,15,30H2,1H3