ethyl (3S,5R)-3-(1,3-dithiolan-2-ylmethyl)-5-pentyl-2-(phenylmethyl)-1,2-oxazolidine-3-carboxylate

Systemtic Name: ethyl (3S,5R)-3-(1,3-dithiolan-2-ylmethyl)-5-pentyl-2-(phenylmethyl)-1,2-oxazolidine-3-carboxylate Openeye Name: ethyl (3S,5R)-2-benzyl-3-(1,3-dithiolan-2-ylmethyl)-5-pentyl-isoxazolidine-3-carboxylate CAS Name: (3S,5R)-3-(1,3-dithiolan-2-ylmethyl)-5-pentyl-2-(phenylmethyl)-3-isoxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,5R)-2-benzyl-3-(1,3-dithiolan-2-ylmethyl)-5-pentyl-1,2-oxazolidine-3-carboxylate Traditional Name: (3S,5R)-5-amyl-2-benzyl-3-(1,3-dithiolan-2-ylmethyl)isoxazolidine-3-carboxylic acid ethyl ester Formula: C22H33NO3S2 MolecularWeight: 423.63232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CC(N(O1)CC2=CC=CC=C2)(CC3SCCS3)C(=O)OCC

Isomeric SMILES

CCCCC[C@@H]1C[C@](N(O1)CC2=CC=CC=C2)(CC3SCCS3)C(=O)OCC

InChI

InChI=1S/C22H33NO3S2/c1-3-5-7-12-19-15-22(21(24)25-4-2,16-20-27-13-14-28-20)23(26-19)17-18-10-8-6-9-11-18/h6,8-11,19-20H,3-5,7,12-17H2,1-2H3/t19-,22+/m1/s1