tert-butyl 4-[(E)-4-(3-methyl-4-methylsulfanyl-phenyl)but-3-enyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-4-(3-methyl-4-methylsulfanyl-phenyl)but-3-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-4-(3-methyl-4-methylsulfanyl-phenyl)but-3-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-4-[3-methyl-4-(methylthio)phenyl]but-3-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-4-(3-methyl-4-methylsulfanylphenyl)but-3-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-4-[3-methyl-4-(methylthio)phenyl]but-3-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H33NO2S MolecularWeight: 375.56792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C=CCCC2CCN(CC2)C(=O)OC(C)(C)C)SC

Isomeric SMILES

CC1=C(C=CC(=C1)/C=C/CCC2CCN(CC2)C(=O)OC(C)(C)C)SC

InChI

InChI=1S/C22H33NO2S/c1-17-16-19(10-11-20(17)26-5)9-7-6-8-18-12-14-23(15-13-18)21(24)25-22(2,3)4/h7,9-11,16,18H,6,8,12-15H2,1-5H3/b9-7+