5-[(3-methoxyphenyl)methylsulfanyl]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one

Systemtic Name: 5-[(3-methoxyphenyl)methylsulfanyl]-6-oxidanyl-2-phenethyl-2-phenyl-3H-pyran-4-one Openeye Name: 6-hydroxy-5-[(3-methoxyphenyl)methylsulfanyl]-2-phenethyl-2-phenyl-3H-pyran-4-one CAS Name: 6-hydroxy-5-[(3-methoxyphenyl)methylthio]-2-phenethyl-2-phenyl-3H-pyran-4-one IUPAC Name: 6-hydroxy-5-[(3-methoxyphenyl)methylsulfanyl]-2-phenethyl-2-phenyl-3H-pyran-4-one Traditional Name: 6-hydroxy-5-(m-anisylthio)-2-phenethyl-2-phenyl-3H-pyran-4-one Formula: C27H26O4S MolecularWeight: 446.55794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=C(OC(CC2=O)(CCC3=CC=CC=C3)C4=CC=CC=C4)O

InChI

InChI=1S/C27H26O4S/c1-30-23-14-8-11-21(17-23)19-32-25-24(28)18-27(31-26(25)29,22-12-6-3-7-13-22)16-15-20-9-4-2-5-10-20/h2-14,17,29H,15-16,18-19H2,1H3