ethyl 5-phenyl-2-pyridin-2-ylsulfanyl-2-[2,2,2-tris(fluoranyl)ethanoyloxy]pentanoate

Systemtic Name: ethyl 5-phenyl-2-pyridin-2-ylsulfanyl-2-[2,2,2-tris(fluoranyl)ethanoyloxy]pentanoate Openeye Name: ethyl 5-phenyl-2-(2-pyridylsulfanyl)-2-(2,2,2-trifluoroacetyl)oxy-pentanoate CAS Name: 5-phenyl-2-(2-pyridinylthio)-2-(2,2,2-trifluoro-1-oxoethoxy)pentanoic acid ethyl ester IUPAC Name: ethyl 5-phenyl-2-pyridin-2-ylsulfanyl-2-(2,2,2-trifluoroacetyl)oxypentanoate Traditional Name: 5-phenyl-2-(2-pyridylthio)-2-(2,2,2-trifluoroacetyl)oxy-valeric acid ethyl ester Formula: C20H20F3NO4S MolecularWeight: 427.43731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCC1=CC=CC=C1)(OC(=O)C(F)(F)F)SC2=CC=CC=N2

Isomeric SMILES

CCOC(=O)C(CCCC1=CC=CC=C1)(OC(=O)C(F)(F)F)SC2=CC=CC=N2

InChI

InChI=1S/C20H20F3NO4S/c1-2-27-17(25)19(28-18(26)20(21,22)23,29-16-12-6-7-14-24-16)13-8-11-15-9-4-3-5-10-15/h3-7,9-10,12,14H,2,8,11,13H2,1H3