ethyl 4-cyano-5-methyl-3-morpholin-4-yl-6-(phenylcarbonyl)-2,5-dihydrothiopyran-6-carboxylate

Systemtic Name: ethyl 4-cyano-5-methyl-3-morpholin-4-yl-6-(phenylcarbonyl)-2,5-dihydrothiopyran-6-carboxylate Openeye Name: ethyl 6-benzoyl-4-cyano-5-methyl-3-morpholino-2,5-dihydrothiopyran-6-carboxylate CAS Name: 6-benzoyl-4-cyano-5-methyl-3-(4-morpholinyl)-2,5-dihydrothiopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl 6-benzoyl-4-cyano-5-methyl-3-morpholin-4-yl-2,5-dihydrothiopyran-6-carboxylate Traditional Name: 6-benzoyl-4-cyano-5-methyl-3-morpholino-2,5-dihydrothiopyran-6-carboxylic acid ethyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(C(=C(CS1)N2CCOCC2)C#N)C)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1(C(C(=C(CS1)N2CCOCC2)C#N)C)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H24N2O4S/c1-3-27-20(25)21(19(24)16-7-5-4-6-8-16)15(2)17(13-22)18(14-28-21)23-9-11-26-12-10-23/h4-8,15H,3,9-12,14H2,1-2H3