diethyl 5-cyano-6-morpholin-4-yl-4-phenyl-3,4-dihydrothiopyran-2,2-dicarboxylate

Systemtic Name: diethyl 5-cyano-6-morpholin-4-yl-4-phenyl-3,4-dihydrothiopyran-2,2-dicarboxylate Openeye Name: diethyl 5-cyano-6-morpholino-4-phenyl-3,4-dihydrothiopyran-2,2-dicarboxylate CAS Name: 5-cyano-6-(4-morpholinyl)-4-phenyl-3,4-dihydrothiopyran-2,2-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-cyano-6-morpholin-4-yl-4-phenyl-3,4-dihydrothiopyran-2,2-dicarboxylate Traditional Name: 5-cyano-6-morpholino-4-phenyl-3,4-dihydrothiopyran-2,2-dicarboxylic acid diethyl ester Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC(C(=C(S1)N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1(CC(C(=C(S1)N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OCC

InChI

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