O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-methyl-2-oxidanyl-propanethioate

Systemtic Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-methyl-2-oxidanyl-propanethioate Openeye Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl] 2-hydroxy-2-methyl-propanethioate CAS Name: 2-hydroxy-2-methylpropanethioic acid O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-hydroxy-2-methylpropanethioate Traditional Name: 2-hydroxy-2-methyl-propanethioic acid O-[3-(4-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl] ester Formula: C17H16F3NO4S2 MolecularWeight: 419.43845

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=S)OC1=NC=C(C=C1C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F)O

Isomeric SMILES

CC(C)(C(=S)OC1=NC=C(C=C1C2=CC=C(C=C2)S(=O)(=O)C)C(F)(F)F)O

InChI

InChI=1S/C17H16F3NO4S2/c1-16(2,22)15(26)25-14-13(8-11(9-21-14)17(18,19)20)10-4-6-12(7-5-10)27(3,23)24/h4-9,22H,1-3H3