4-methyl-2-(3-phenylpropanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]thiophene-3-carboxylic acid

Systemtic Name: 4-methyl-2-(3-phenylpropanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(3-phenylpropanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[(1-oxo-3-phenylpropyl)amino]-5-[oxo-[[3-(trifluoromethyl)phenyl]methylamino]methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(3-phenylpropanoylamino)-5-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]thiophene-3-carboxylic acid Traditional Name: 2-(hydrocinnamoylamino)-4-methyl-5-[[3-(trifluoromethyl)benzyl]carbamoyl]-3-thenoic acid Formula: C24H21F3N2O4S MolecularWeight: 490.49475

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)O)NC(=O)CCC2=CC=CC=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(SC(=C1C(=O)O)NC(=O)CCC2=CC=CC=C2)C(=O)NCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C24H21F3N2O4S/c1-14-19(23(32)33)22(29-18(30)11-10-15-6-3-2-4-7-15)34-20(14)21(31)28-13-16-8-5-9-17(12-16)24(25,26)27/h2-9,12H,10-11,13H2,1H3,(H,28,31)(H,29,30)(H,32,33)