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

Systemtic Name: dimethyl 5-cyano-6-morpholin-4-yl-4-phenyl-3,4-dihydrothiopyran-2,2-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C(=C(S1)N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(C(=C(S1)N2CCOCC2)C#N)C3=CC=CC=C3)C(=O)OC

InChI

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