tert-butyl N-(tert-butylsulfanylmethyl)-N-[(1R,2S)-1-oxidanyl-1-phenyl-heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-(tert-butylsulfanylmethyl)-N-[(1R,2S)-1-oxidanyl-1-phenyl-heptan-2-yl]carbamate Openeye Name: tert-butyl N-(tert-butylsulfanylmethyl)-N-[(1S)-1-[(R)-hydroxy(phenyl)methyl]hexyl]carbamate CAS Name: N-[(tert-butylthio)methyl]-N-[(1R,2S)-1-hydroxy-1-phenylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(tert-butylsulfanylmethyl)-N-[(1R,2S)-1-hydroxy-1-phenylheptan-2-yl]carbamate Traditional Name: N-[(tert-butylthio)methyl]-N-[(1S)-1-[(R)-hydroxy(phenyl)methyl]hexyl]carbamic acid tert-butyl ester Formula: C23H39NO3S MolecularWeight: 409.62566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C1=CC=CC=C1)O)N(CSC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC[C@@H]([C@@H](C1=CC=CC=C1)O)N(CSC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H39NO3S/c1-8-9-11-16-19(20(25)18-14-12-10-13-15-18)24(17-28-23(5,6)7)21(26)27-22(2,3)4/h10,12-15,19-20,25H,8-9,11,16-17H2,1-7H3/t19-,20+/m0/s1