ethyl 4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate

Systemtic Name: ethyl 4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]-4-oxidanyl-piperidine-1-carboxylate Openeye Name: ethyl 4-[2-(1,1-dimethylpropylsulfanylmethyl)phenyl]-4-hydroxy-piperidine-1-carboxylate CAS Name: 4-hydroxy-4-[2-[(2-methylbutan-2-ylthio)methyl]phenyl]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-hydroxy-4-[2-(2-methylbutan-2-ylsulfanylmethyl)phenyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(tert-amylthio)methyl]phenyl]-4-hydroxy-piperidine-1-carboxylic acid ethyl ester Formula: C20H31NO3S MolecularWeight: 365.53004

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OCC)O

Isomeric SMILES

CCC(C)(C)SCC1=CC=CC=C1C2(CCN(CC2)C(=O)OCC)O

InChI

InChI=1S/C20H31NO3S/c1-5-19(3,4)25-15-16-9-7-8-10-17(16)20(23)11-13-21(14-12-20)18(22)24-6-2/h7-10,23H,5-6,11-15H2,1-4H3