6-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one

Systemtic Name: 6-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 2-hydroxy-6-[3-methyl-4-(2-pyridylmethoxy)phenyl]-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-[3-methyl-4-(2-pyridinylmethoxy)phenyl]-3-(phenethylthio)-4-pyranone IUPAC Name: 2-hydroxy-6-[3-methyl-4-(pyridin-2-ylmethoxy)phenyl]-3-phenethylsulfanylpyran-4-one Traditional Name: 2-hydroxy-6-[3-methyl-4-(2-pyridylmethoxy)phenyl]-3-(phenethylthio)pyran-4-one Formula: C26H23NO4S MolecularWeight: 445.53012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=N4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=N4

InChI

InChI=1S/C26H23NO4S/c1-18-15-20(10-11-23(18)30-17-21-9-5-6-13-27-21)24-16-22(28)25(26(29)31-24)32-14-12-19-7-3-2-4-8-19/h2-11,13,15-16,29H,12,14,17H2,1H3