3-(phenylmethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)pyran-2-one

Systemtic Name: 3-(phenylmethylsulfanyl)-6-(2,3,4-trimethoxyphenyl)pyran-2-one Openeye Name: 3-benzylsulfanyl-6-(2,3,4-trimethoxyphenyl)pyran-2-one CAS Name: 3-(phenylmethylthio)-6-(2,3,4-trimethoxyphenyl)-2-pyranone IUPAC Name: 3-benzylsulfanyl-6-(2,3,4-trimethoxyphenyl)pyran-2-one Traditional Name: 3-(benzylthio)-6-(2,3,4-trimethoxyphenyl)pyran-2-one Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C2=CC=C(C(=O)O2)SCC3=CC=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C2=CC=C(C(=O)O2)SCC3=CC=CC=C3)OC)OC

InChI

InChI=1S/C21H20O5S/c1-23-17-10-9-15(19(24-2)20(17)25-3)16-11-12-18(21(22)26-16)27-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3