(phenylmethyl) N-[(3R,4S)-4-tert-butylsulfanyl-2,2,6-trimethyl-heptan-3-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(3R,4S)-4-tert-butylsulfanyl-2,2,6-trimethyl-heptan-3-yl]carbamate Openeye Name: benzyl N-[(1R,2S)-1-tert-butyl-2-tert-butylsulfanyl-4-methyl-pentyl]carbamate CAS Name: N-[(3R,4S)-4-(tert-butylthio)-2,2,6-trimethylheptan-3-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(3R,4S)-4-tert-butylsulfanyl-2,2,6-trimethylheptan-3-yl]carbamate Traditional Name: N-[(1R,2S)-1-tert-butyl-2-(tert-butylthio)-4-methyl-pentyl]carbamic acid benzyl ester Formula: C22H37NO2S MolecularWeight: 379.59968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(C)(C)C)NC(=O)OCC1=CC=CC=C1)SC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H]([C@@H](C(C)(C)C)NC(=O)OCC1=CC=CC=C1)SC(C)(C)C

InChI

InChI=1S/C22H37NO2S/c1-16(2)14-18(26-22(6,7)8)19(21(3,4)5)23-20(24)25-15-17-12-10-9-11-13-17/h9-13,16,18-19H,14-15H2,1-8H3,(H,23,24)/t18-,19-/m0/s1