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

Systemtic Name: tert-butyl 4-[[3-(3-chloranyl-4-methylsulfanyl-phenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[3-(3-chloro-4-methylsulfanyl-phenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate CAS Name: 4-[[3-[3-chloro-4-(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[3-(3-chloro-4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylate Traditional Name: 4-[[3-[3-chloro-4-(methylthio)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H26ClN3O4S MolecularWeight: 439.95614

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H26ClN3O4S/c1-20(2,3)27-19(25)24-9-7-14(8-10-24)26-12-17-22-18(23-28-17)13-5-6-16(29-4)15(21)11-13/h5-6,11,14H,7-10,12H2,1-4H3