methyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: methyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: methyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-[2-[(tert-butylthio)methyl]phenyl]-4-hydroxy-1-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-(tert-butylsulfanylmethyl)phenyl]-4-hydroxypiperidine-1-carboxylate Traditional Name: 4-[2-[(tert-butylthio)methyl]phenyl]-4-hydroxy-piperidine-1-carboxylic acid methyl ester Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OC)O

Isomeric SMILES

CC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OC)O

InChI

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