diethyl 2-[(E)-4-chloranyl-2-cyano-1-morpholin-4-yl-3-phenyl-but-1-enyl]sulfanylpropanedioate

Systemtic Name: diethyl 2-[(E)-4-chloranyl-2-cyano-1-morpholin-4-yl-3-phenyl-but-1-enyl]sulfanylpropanedioate Openeye Name: diethyl 2-[(E)-4-chloro-2-cyano-1-morpholino-3-phenyl-but-1-enyl]sulfanylpropanedioate CAS Name: 2-[[(E)-4-chloro-2-cyano-1-(4-morpholinyl)-3-phenylbut-1-enyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-4-chloro-2-cyano-1-morpholin-4-yl-3-phenylbut-1-enyl]sulfanylpropanedioate Traditional Name: 2-[[(E)-4-chloro-2-cyano-1-morpholino-3-phenyl-but-1-enyl]thio]malonic acid diethyl ester Formula: C22H27ClN2O5S MolecularWeight: 466.97818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC(=C(C#N)C(CCl)C1=CC=CC=C1)N2CCOCC2

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)S/C(=C(/C#N)\C(CCl)C1=CC=CC=C1)/N2CCOCC2

InChI

InChI=1S/C22H27ClN2O5S/c1-3-29-21(26)19(22(27)30-4-2)31-20(25-10-12-28-13-11-25)18(15-24)17(14-23)16-8-6-5-7-9-16/h5-9,17,19H,3-4,10-14H2,1-2H3/b20-18-