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

Systemtic Name: tert-butyl 4-[2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-1-carboxylate CAS Name: 4-[2-[3-[4-(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]piperidine-1-carboxylate Traditional Name: 4-[2-[3-[4-(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H29N3O3S MolecularWeight: 403.53826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=NC(=NO2)C3=CC=C(C=C3)SC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCC2=NC(=NO2)C3=CC=C(C=C3)SC

InChI

InChI=1S/C21H29N3O3S/c1-21(2,3)26-20(25)24-13-11-15(12-14-24)5-10-18-22-19(23-27-18)16-6-8-17(28-4)9-7-16/h6-9,15H,5,10-14H2,1-4H3