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

Systemtic Name: ethyl (3S,5S)-3-(1,3-dithiolan-2-ylmethyl)-5-ethoxy-2-(phenylmethyl)-1,2-oxazolidine-3-carboxylate Openeye Name: ethyl (3S,5S)-2-benzyl-3-(1,3-dithiolan-2-ylmethyl)-5-ethoxy-isoxazolidine-3-carboxylate CAS Name: (3S,5S)-3-(1,3-dithiolan-2-ylmethyl)-5-ethoxy-2-(phenylmethyl)-3-isoxazolidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S,5S)-2-benzyl-3-(1,3-dithiolan-2-ylmethyl)-5-ethoxy-1,2-oxazolidine-3-carboxylate Traditional Name: (3S,5S)-2-benzyl-3-(1,3-dithiolan-2-ylmethyl)-5-ethoxy-isoxazolidine-3-carboxylic acid ethyl ester Formula: C19H27NO4S2 MolecularWeight: 397.55198

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1CC(N(O1)CC2=CC=CC=C2)(CC3SCCS3)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO4S2/c1-3-22-16-12-19(18(21)23-4-2,13-17-25-10-11-26-17)20(24-16)14-15-8-6-5-7-9-15/h5-9,16-17H,3-4,10-14H2,1-2H3/t16-,19-/m0/s1