tert-butyl 6-[[4-(5-acetyloxythiophen-2-yl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate

Systemtic Name: tert-butyl 6-[[4-(5-acetyloxythiophen-2-yl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate Openeye Name: tert-butyl 6-[[4-(5-acetoxy-2-thienyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate CAS Name: 6-[[4-(5-acetyloxy-2-thiophenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(5-acetyloxythiophen-2-yl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate Traditional Name: 6-[[4-(5-acetoxy-2-thienyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C25H23F3O6S MolecularWeight: 508.50673

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(S1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1=CC=C(S1)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H23F3O6S/c1-14(29)33-20-12-11-19(35-20)15-5-8-17(9-6-15)32-13-16-7-10-18(25(26,27)28)22(30)21(16)23(31)34-24(2,3)4/h5-12,30H,13H2,1-4H3