tert-butyl 4-[5-(phenylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-(phenylmethylsulfanyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate CAS Name: 4-[5-(phenylmethylthio)-1,3,4-oxadiazol-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-benzylsulfanyl-1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate Traditional Name: 4-[5-(benzylthio)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(O2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(O2)SCC3=CC=CC=C3

InChI

InChI=1S/C19H25N3O3S/c1-19(2,3)25-18(23)22-11-9-15(10-12-22)16-20-21-17(24-16)26-13-14-7-5-4-6-8-14/h4-8,15H,9-13H2,1-3H3