tert-butyl N-[(2S)-1-cyclohexyl-3-phenylsulfanyl-propan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-cyclohexyl-3-phenylsulfanyl-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(cyclohexylmethyl)-2-phenylsulfanyl-ethyl]carbamate CAS Name: N-[(2S)-1-cyclohexyl-3-(phenylthio)propan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-cyclohexyl-3-phenylsulfanylpropan-2-yl]carbamate Traditional Name: N-[(1S)-1-(cyclohexylmethyl)-2-(phenylthio)ethyl]carbamic acid tert-butyl ester Formula: C20H31NO2S MolecularWeight: 349.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1CCCCC1)CSC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1CCCCC1)CSC2=CC=CC=C2

InChI

InChI=1S/C20H31NO2S/c1-20(2,3)23-19(22)21-17(14-16-10-6-4-7-11-16)15-24-18-12-8-5-9-13-18/h5,8-9,12-13,16-17H,4,6-7,10-11,14-15H2,1-3H3,(H,21,22)/t17-/m0/s1