tert-butyl (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(pyridin-2-ylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate

Systemtic Name: tert-butyl (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(pyridin-2-ylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate Openeye Name: tert-butyl (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(2-pyridylsulfanylmethyl)oxazolidine-3-carboxylate CAS Name: (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[(2-pyridinylthio)methyl]-3-oxazolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-(pyridin-2-ylsulfanylmethyl)-1,3-oxazolidine-3-carboxylate Traditional Name: (4S,5R)-4-(cyclohexylmethyl)-2,2-dimethyl-5-[(2-pyridylthio)methyl]oxazolidine-3-carboxylic acid tert-butyl ester Formula: C23H36N2O3S MolecularWeight: 420.60854

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(N(C(C(O1)CSC2=CC=CC=N2)CC3CCCCC3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(N([C@H]([C@@H](O1)CSC2=CC=CC=N2)CC3CCCCC3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C23H36N2O3S/c1-22(2,3)28-21(26)25-18(15-17-11-7-6-8-12-17)19(27-23(25,4)5)16-29-20-13-9-10-14-24-20/h9-10,13-14,17-19H,6-8,11-12,15-16H2,1-5H3/t18-,19-/m0/s1