2-(2-cyclopropylethanoyl)-4-methoxy-5-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(2-cyclopropylethanoyl)-4-methoxy-5-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid Openeye Name: 2-(2-cyclopropylacetyl)-4-methoxy-5-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid CAS Name: 2-(2-cyclopropyl-1-oxoethyl)-4-methoxy-5-[[3-(trifluoromethyl)phenyl]methyl]-3-thiophenecarboxylic acid IUPAC Name: 2-(2-cyclopropylacetyl)-4-methoxy-5-[[3-(trifluoromethyl)phenyl]methyl]thiophene-3-carboxylic acid Traditional Name: 2-(2-cyclopropylacetyl)-4-methoxy-5-[3-(trifluoromethyl)benzyl]-3-thenoic acid Formula: C19H17F3O4S MolecularWeight: 398.39609

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC(=C1C(=O)O)C(=O)CC2CC2)CC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=C(SC(=C1C(=O)O)C(=O)CC2CC2)CC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H17F3O4S/c1-26-16-14(9-11-3-2-4-12(7-11)19(20,21)22)27-17(15(16)18(24)25)13(23)8-10-5-6-10/h2-4,7,10H,5-6,8-9H2,1H3,(H,24,25)