tert-butyl 4-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[(E)-cinnamyl]sulfanyl-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate CAS Name: 4-[5-[[(E)-3-phenylprop-2-enyl]thio]-1,3,4-oxadiazol-2-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[(E)-3-phenylprop-2-enyl]sulfanyl-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate Traditional Name: 4-[5-[[(E)-cinnamyl]thio]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NN=C(O2)SCC=CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S/c1-21(2,3)27-20(25)24-13-11-17(12-14-24)18-22-23-19(26-18)28-15-7-10-16-8-5-4-6-9-16/h4-10,17H,11-15H2,1-3H3/b10-7+