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

Systemtic Name: dimethyl 2-(4-cyano-5-morpholin-4-yl-3-phenyl-2,3-dihydrothiophen-1-ylidene)propanedioate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=S1CC(C(=C1N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C(=S1CC(C(=C1N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H22N2O5S/c1-25-19(23)17(20(24)26-2)28-13-16(14-6-4-3-5-7-14)15(12-21)18(28)22-8-10-27-11-9-22/h3-7,16H,8-11,13H2,1-2H3