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

Systemtic Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-methyl-2-oxidanyl-butanethioate Openeye Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridyl] 2-hydroxy-2-methyl-butanethioate CAS Name: 2-hydroxy-2-methylbutanethioic acid O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-2-pyridinyl] ester IUPAC Name: O-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyridin-2-yl] 2-hydroxy-2-methylbutanethioate Traditional Name: 2-hydroxy-2-methyl-butanethioic acid O-[3-(4-mesylphenyl)-5-(trifluoromethyl)-2-pyridyl] ester Formula: C18H18F3NO4S2 MolecularWeight: 433.46503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18F3NO4S2/c1-4-17(2,23)16(27)26-15-14(9-12(10-22-15)18(19,20)21)11-5-7-13(8-6-11)28(3,24)25/h5-10,23H,4H2,1-3H3