6-(4-methoxy-3-methyl-phenyl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one

Systemtic Name: 6-(4-methoxy-3-methyl-phenyl)-2-oxidanyl-3-(phenylmethylsulfanyl)pyran-4-one Openeye Name: 3-benzylsulfanyl-2-hydroxy-6-(4-methoxy-3-methyl-phenyl)pyran-4-one CAS Name: 2-hydroxy-6-(4-methoxy-3-methylphenyl)-3-(phenylmethylthio)-4-pyranone IUPAC Name: 3-benzylsulfanyl-2-hydroxy-6-(4-methoxy-3-methylphenyl)pyran-4-one Traditional Name: 3-(benzylthio)-2-hydroxy-6-(4-methoxy-3-methyl-phenyl)pyran-4-one Formula: C20H18O4S MolecularWeight: 354.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H18O4S/c1-13-10-15(8-9-17(13)23-2)18-11-16(21)19(20(22)24-18)25-12-14-6-4-3-5-7-14/h3-11,22H,12H2,1-2H3