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

Systemtic Name: diethyl 2-[(E)-4-chloranyl-2-cyano-1-morpholin-4-yl-but-1-enyl]sulfanylpropanedioate Openeye Name: diethyl 2-[(E)-4-chloro-2-cyano-1-morpholino-but-1-enyl]sulfanylpropanedioate CAS Name: 2-[[(E)-4-chloro-2-cyano-1-(4-morpholinyl)but-1-enyl]thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-4-chloro-2-cyano-1-morpholin-4-ylbut-1-enyl]sulfanylpropanedioate Traditional Name: 2-[[(E)-4-chloro-2-cyano-1-morpholino-but-1-enyl]thio]malonic acid diethyl ester Formula: C16H23ClN2O5S MolecularWeight: 390.88222

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC(=C(CCCl)C#N)N1CCOCC1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)S/C(=C(\CCCl)/C#N)/N1CCOCC1

InChI

InChI=1S/C16H23ClN2O5S/c1-3-23-15(20)13(16(21)24-4-2)25-14(12(11-18)5-6-17)19-7-9-22-10-8-19/h13H,3-10H2,1-2H3/b14-12+