diethyl 2-(4-cyano-5-morpholin-4-yl-3-phenyl-2,3-dihydrothiophen-1-ylidene)propanedioate

Systemtic Name: diethyl 2-(4-cyano-5-morpholin-4-yl-3-phenyl-2,3-dihydrothiophen-1-ylidene)propanedioate Openeye Name: diethyl 2-(4-cyano-5-morpholino-3-phenyl-2,3-dihydrothiophen-1-ylidene)propanedioate CAS Name: 2-[4-cyano-5-(4-morpholinyl)-3-phenyl-2,3-dihydrothiophen-1-ylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(4-cyano-5-morpholin-4-yl-3-phenyl-2,3-dihydrothiophen-1-ylidene)propanedioate Traditional Name: 2-(4-cyano-5-morpholino-3-phenyl-2,3-dihydrothiophen-1-ylidene)malonic acid diethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=S1CC(C(=C1N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=S1CC(C(=C1N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C22H26N2O5S/c1-3-28-21(25)19(22(26)29-4-2)30-15-18(16-8-6-5-7-9-16)17(14-23)20(30)24-10-12-27-13-11-24/h5-9,18H,3-4,10-13,15H2,1-2H3