2-(4-morpholin-4-yl-4-oxidanylidene-butyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-(4-morpholin-4-yl-4-oxidanylidene-butyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-(4-morpholino-4-oxo-butyl)-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[4-(4-morpholinyl)-4-oxobutyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-(4-morpholin-4-yl-4-oxobutyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-(4-keto-4-morpholino-butyl)-2-phenyl-3H-pyran-4-one Formula: C26H29NO5S MolecularWeight: 467.57716

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1C(=O)CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H29NO5S/c28-22-18-26(21-10-5-2-6-11-21,13-7-12-23(29)27-14-16-31-17-15-27)32-25(30)24(22)33-19-20-8-3-1-4-9-20/h1-6,8-11,30H,7,12-19H2