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

Systemtic Name: tert-butyl 6-[[4-(5-acetyloxy-3-methyl-thiophen-2-yl)phenoxy]methyl]-2-oxidanyl-3-(trifluoromethyl)benzoate Openeye Name: tert-butyl 6-[[4-(5-acetoxy-3-methyl-2-thienyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate CAS Name: 6-[[4-(5-acetyloxy-3-methyl-2-thiophenyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester IUPAC Name: tert-butyl 6-[[4-(5-acetyloxy-3-methylthiophen-2-yl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoate Traditional Name: 6-[[4-(5-acetoxy-3-methyl-2-thienyl)phenoxy]methyl]-2-hydroxy-3-(trifluoromethyl)benzoic acid tert-butyl ester Formula: C26H25F3O6S MolecularWeight: 522.53331

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)OC(=O)C)C2=CC=C(C=C2)OCC3=C(C(=C(C=C3)C(F)(F)F)O)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(SC(=C1)OC(=O)C)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/C26H25F3O6S/c1-14-12-20(34-15(2)30)36-23(14)16-6-9-18(10-7-16)33-13-17-8-11-19(26(27,28)29)22(31)21(17)24(32)35-25(3,4)5/h6-12,31H,13H2,1-5H3