O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-ethyl-2-oxidanyl-butanethioate

Systemtic Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-ethyl-2-oxidanyl-butanethioate Openeye Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl] 2-ethyl-2-hydroxy-butanethioate CAS Name: 2-ethyl-2-hydroxybutanethioic acid O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-ethyl-2-hydroxybutanethioate Traditional Name: 2-ethyl-2-hydroxy-butanethioic acid O-[3-(4-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl] ester Formula: C19H20F3NO4S2 MolecularWeight: 447.49161

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3NO4S2/c1-4-18(24,5-2)17(28)27-16-15(10-13(11-23-16)19(20,21)22)12-6-8-14(9-7-12)29(3,25)26/h6-11,24H,4-5H2,1-3H3