tert-butyl 4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-3-(4-methylsulfanylphenyl)allyl]piperidine-1-carboxylate CAS Name: 4-[(E)-3-[4-(methylthio)phenyl]prop-2-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-3-[4-(methylthio)phenyl]allyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29NO2S MolecularWeight: 347.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CC=CC2=CC=C(C=C2)SC

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO2S/c1-20(2,3)23-19(22)21-14-12-17(13-15-21)7-5-6-16-8-10-18(24-4)11-9-16/h5-6,8-11,17H,7,12-15H2,1-4H3/b6-5+