tert-butyl N-[(1S,2R)-2-(phenylmethylsulfanyl)cyclohexyl]carbamate

Systemtic Name: tert-butyl N-[(1S,2R)-2-(phenylmethylsulfanyl)cyclohexyl]carbamate Openeye Name: tert-butyl N-[(1S,2R)-2-benzylsulfanylcyclohexyl]carbamate CAS Name: N-[(1S,2R)-2-(phenylmethylthio)cyclohexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1S,2R)-2-benzylsulfanylcyclohexyl]carbamate Traditional Name: N-[(1S,2R)-2-(benzylthio)cyclohexyl]carbamic acid tert-butyl ester Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCCCC1SCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CCCC[C@H]1SCC2=CC=CC=C2

InChI

InChI=1S/C18H27NO2S/c1-18(2,3)21-17(20)19-15-11-7-8-12-16(15)22-13-14-9-5-4-6-10-14/h4-6,9-10,15-16H,7-8,11-13H2,1-3H3,(H,19,20)/t15-,16+/m0/s1