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

Systemtic Name: tert-butyl 4-[(E)-4-(3-chloranyl-4-methylsulfanyl-phenyl)but-3-enyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-4-(3-chloro-4-methylsulfanyl-phenyl)but-3-enyl]piperidine-1-carboxylate CAS Name: 4-[(E)-4-[3-chloro-4-(methylthio)phenyl]but-3-enyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-4-(3-chloro-4-methylsulfanylphenyl)but-3-enyl]piperidine-1-carboxylate Traditional Name: 4-[(E)-4-[3-chloro-4-(methylthio)phenyl]but-3-enyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30ClNO2S MolecularWeight: 395.9864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30ClNO2S/c1-21(2,3)25-20(24)23-13-11-16(12-14-23)7-5-6-8-17-9-10-19(26-4)18(22)15-17/h6,8-10,15-16H,5,7,11-14H2,1-4H3/b8-6+