2-(3-morpholin-4-ylpropyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-(3-morpholin-4-ylpropyl)-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-(3-morpholinopropyl)-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[3-(4-morpholinyl)propyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-(3-morpholin-4-ylpropyl)-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-(3-morpholinopropyl)-2-phenyl-3H-pyran-4-one Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1COCCN1CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29NO4S/c27-22-18-25(21-10-5-2-6-11-21,12-7-13-26-14-16-29-17-15-26)30-24(28)23(22)31-19-20-8-3-1-4-9-20/h1-6,8-11,28H,7,12-19H2