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

Systemtic Name: tert-butyl 4-[[3-[3,4-bis(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-[3,4-bis(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate CAS Name: 4-[[3-[3,4-bis(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-[3,4-bis(methylsulfanyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate Traditional Name: 4-[[3-[3,4-bis(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O4S2 MolecularWeight: 451.60266

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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)SC)SC

Isomeric SMILES

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

InChI

InChI=1S/C21H29N3O4S2/c1-21(2,3)27-20(25)24-10-8-15(9-11-24)26-13-18-22-19(23-28-18)14-6-7-16(29-4)17(12-14)30-5/h6-7,12,15H,8-11,13H2,1-5H3