tert-butyl 4-[(3-methylsulfanyl-4-oxidanyl-phenyl)methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(3-methylsulfanyl-4-oxidanyl-phenyl)methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[(4-hydroxy-3-methylsulfanyl-phenyl)methyl]piperidine-1-carboxylate CAS Name: 4-[[4-hydroxy-3-(methylthio)phenyl]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-hydroxy-3-methylsulfanylphenyl)methyl]piperidine-1-carboxylate Traditional Name: 4-[4-hydroxy-3-(methylthio)benzyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO3S/c1-18(2,3)22-17(21)19-9-7-13(8-10-19)11-14-5-6-15(20)16(12-14)23-4/h5-6,12-13,20H,7-11H2,1-4H3