tert-butyl 4-[[3-[3-fluoranyl-4-(2-hydroxyethylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[3-[3-fluoranyl-4-(2-hydroxyethylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[3-fluoro-4-(2-hydroxyethylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate CAS Name: 4-[[3-[3-fluoro-4-(2-hydroxyethylthio)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[3-fluoro-4-(2-hydroxyethylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate Traditional Name: 4-[[3-[3-fluoro-4-(2-hydroxyethylthio)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H28FN3O5S MolecularWeight: 453.527523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OCC2=NC(=NO2)C3=CC(=C(C=C3)SCCO)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OCC2=NC(=NO2)C3=CC(=C(C=C3)SCCO)F

InChI

InChI=1S/C21H28FN3O5S/c1-21(2,3)29-20(27)25-8-6-15(7-9-25)28-13-18-23-19(24-30-18)14-4-5-17(16(22)12-14)31-11-10-26/h4-5,12,15,26H,6-11,13H2,1-3H3