6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-2-(4-thiomorpholin-4-ylbutyl)-3H-pyran-4-one

Systemtic Name: 6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-2-(4-thiomorpholin-4-ylbutyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-phenyl-2-(4-thiomorpholinobutyl)-3H-pyran-4-one CAS Name: 6-hydroxy-2-phenyl-5-(phenylmethylthio)-2-(4-thiomorpholin-4-ylbutyl)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-phenyl-2-(4-thiomorpholin-4-ylbutyl)-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-phenyl-2-(4-thiomorpholinobutyl)-3H-pyran-4-one Formula: C26H31NO3S2 MolecularWeight: 469.65924

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1CCCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H31NO3S2/c28-23-19-26(22-11-5-2-6-12-22,13-7-8-14-27-15-17-31-18-16-27)30-25(29)24(23)32-20-21-9-3-1-4-10-21/h1-6,9-12,29H,7-8,13-20H2