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

Systemtic Name: 6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-2-(3-thiomorpholin-4-ylpropyl)-3H-pyran-4-one Openeye Name: 5-benzylsulfanyl-6-hydroxy-2-phenyl-2-(3-thiomorpholinopropyl)-3H-pyran-4-one CAS Name: 6-hydroxy-2-phenyl-5-(phenylmethylthio)-2-(3-thiomorpholin-4-ylpropyl)-3H-pyran-4-one IUPAC Name: 5-benzylsulfanyl-6-hydroxy-2-phenyl-2-(3-thiomorpholin-4-ylpropyl)-3H-pyran-4-one Traditional Name: 5-(benzylthio)-6-hydroxy-2-phenyl-2-(3-thiomorpholinopropyl)-3H-pyran-4-one Formula: C25H29NO3S2 MolecularWeight: 455.63266

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CSCCN1CCCC2(CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H29NO3S2/c27-22-18-25(21-10-5-2-6-11-21,12-7-13-26-14-16-30-17-15-26)29-24(28)23(22)31-19-20-8-3-1-4-9-20/h1-6,8-11,28H,7,12-19H2