tert-butyl N-[(2S,3S)-4-methylsulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S)-4-methylsulfanyl-3-oxidanyl-1-phenyl-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S)-1-benzyl-2-hydroxy-3-methylsulfanyl-propyl]carbamate CAS Name: N-[(2S,3S)-3-hydroxy-4-(methylthio)-1-phenylbutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S)-3-hydroxy-4-methylsulfanyl-1-phenylbutan-2-yl]carbamate Traditional Name: N-[(1S,2S)-1-benzyl-2-hydroxy-3-(methylthio)propyl]carbamic acid tert-butyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(CSC)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](CSC)O

InChI

InChI=1S/C16H25NO3S/c1-16(2,3)20-15(19)17-13(14(18)11-21-4)10-12-8-6-5-7-9-12/h5-9,13-14,18H,10-11H2,1-4H3,(H,17,19)/t13-,14+/m0/s1