2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-oxidanyl-2-phenyl-5-(phenylmethylsulfanyl)-3H-pyran-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-benzylsulfanyl-6-hydroxy-2-phenyl-3H-pyran-4-one CAS Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-6-hydroxy-2-phenyl-5-(phenylmethylthio)-3H-pyran-4-one IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)ethyl]-5-benzylsulfanyl-6-hydroxy-2-phenyl-3H-pyran-4-one Traditional Name: 5-(benzylthio)-2-homopiperonyl-6-hydroxy-2-phenyl-3H-pyran-4-one Formula: C27H24O5S MolecularWeight: 460.54146

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)C(=C(OC1(CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)O)SCC5=CC=CC=C5

Isomeric SMILES

C1C(=O)C(=C(OC1(CCC2=CC3=C(C=C2)OCO3)C4=CC=CC=C4)O)SCC5=CC=CC=C5

InChI

InChI=1S/C27H24O5S/c28-22-16-27(21-9-5-2-6-10-21,14-13-19-11-12-23-24(15-19)31-18-30-23)32-26(29)25(22)33-17-20-7-3-1-4-8-20/h1-12,15,29H,13-14,16-18H2