S-[1-(6-phenoxypyridin-2-yl)ethyl] 3-methyl-2-[4-(trifluoromethyloxy)phenyl]butanethioate

Systemtic Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 3-methyl-2-[4-(trifluoromethyloxy)phenyl]butanethioate Openeye Name: S-[1-(6-phenoxy-2-pyridyl)ethyl] 3-methyl-2-[4-(trifluoromethoxy)phenyl]butanethioate CAS Name: 3-methyl-2-[4-(trifluoromethoxy)phenyl]butanethioic acid S-[1-(6-phenoxy-2-pyridinyl)ethyl] ester IUPAC Name: S-[1-(6-phenoxypyridin-2-yl)ethyl] 3-methyl-2-[4-(trifluoromethoxy)phenyl]butanethioate Traditional Name: 3-methyl-2-[4-(trifluoromethoxy)phenyl]butanethioic acid S-[1-(6-phenoxy-2-pyridyl)ethyl] ester Formula: C25H24F3NO3S MolecularWeight: 475.52317

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)OC(F)(F)F)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C1=CC=C(C=C1)OC(F)(F)F)C(=O)SC(C)C2=NC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H24F3NO3S/c1-16(2)23(18-12-14-20(15-13-18)32-25(26,27)28)24(30)33-17(3)21-10-7-11-22(29-21)31-19-8-5-4-6-9-19/h4-17,23H,1-3H3