methyl 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-(trifluoromethylsulfonyloxy)benzoate

Systemtic Name: methyl 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-(trifluoromethylsulfonyloxy)benzoate Openeye Name: methyl 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-(trifluoromethylsulfonyloxy)benzoate CAS Name: 5-[2-(3,4-diethoxyphenyl)-4-thiazolyl]-2-(trifluoromethylsulfonyloxy)benzoic acid methyl ester IUPAC Name: methyl 5-[2-(3,4-diethoxyphenyl)-1,3-thiazol-4-yl]-2-(trifluoromethylsulfonyloxy)benzoate Traditional Name: 5-[2-(3,4-diethoxyphenyl)thiazol-4-yl]-2-triflyloxy-benzoic acid methyl ester Formula: C22H20F3NO7S2 MolecularWeight: 531.52191

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)OS(=O)(=O)C(F)(F)F)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NC(=CS2)C3=CC(=C(C=C3)OS(=O)(=O)C(F)(F)F)C(=O)OC)OCC

InChI

InChI=1S/C22H20F3NO7S2/c1-4-31-18-9-7-14(11-19(18)32-5-2)20-26-16(12-34-20)13-6-8-17(15(10-13)21(27)30-3)33-35(28,29)22(23,24)25/h6-12H,4-5H2,1-3H3