2-[2-(3-morpholin-4-ylphenyl)ethyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-[2-(3-morpholin-4-ylphenyl)ethyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-[2-(3-morpholinophenyl)ethyl]-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-2-[2-[3-(4-morpholinyl)phenyl]ethyl]-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-[2-(3-morpholin-4-ylphenyl)ethyl]-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-[2-(3-morpholinophenyl)ethyl]-2-phenyl-3H-pyran-4-one Formula: C30H31NO4S MolecularWeight: 501.63644

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=CC(=C2)CCC3(CC(=O)C(=C(O3)O)SCC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=CC=CC(=C2)CCC3(CC(=O)C(=C(O3)O)SCC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C30H31NO4S/c32-27-21-30(25-11-5-2-6-12-25,35-29(33)28(27)36-22-24-8-3-1-4-9-24)15-14-23-10-7-13-26(20-23)31-16-18-34-19-17-31/h1-13,20,33H,14-19,21-22H2