diethyl (4S,5R)-3-propyl-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate

Systemtic Name: diethyl (4S,5R)-3-propyl-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Openeye Name: diethyl (4S,5R)-3-propyl-4,5-dihydroisothiazole-4,5-dicarboxylate CAS Name: (4S,5R)-3-propyl-4,5-dihydroisothiazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S,5R)-3-propyl-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Traditional Name: (4S,5R)-3-propyl-2-isothiazoline-4,5-dicarboxylic acid diethyl ester Formula: C12H19NO4S MolecularWeight: 273.34856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NSC(C1C(=O)OCC)C(=O)OCC

Isomeric SMILES

CCCC1=NS[C@H]([C@@H]1C(=O)OCC)C(=O)OCC

InChI

InChI=1S/C12H19NO4S/c1-4-7-8-9(11(14)16-5-2)10(18-13-8)12(15)17-6-3/h9-10H,4-7H2,1-3H3/t9-,10-/m1/s1