methyl 4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]benzoate

Systemtic Name: methyl 4-[6-oxidanyl-4-oxidanylidene-5-(phenylmethylsulfanyl)pyran-2-yl]benzoate Openeye Name: methyl 4-(5-benzylsulfanyl-6-hydroxy-4-oxo-pyran-2-yl)benzoate CAS Name: 4-[6-hydroxy-4-oxo-5-(phenylmethylthio)-2-pyranyl]benzoic acid methyl ester IUPAC Name: methyl 4-(5-benzylsulfanyl-6-hydroxy-4-oxopyran-2-yl)benzoate Traditional Name: 4-[5-(benzylthio)-6-hydroxy-4-keto-pyran-2-yl]benzoic acid methyl ester Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCC3=CC=CC=C3

InChI

InChI=1S/C20H16O5S/c1-24-19(22)15-9-7-14(8-10-15)17-11-16(21)18(20(23)25-17)26-12-13-5-3-2-4-6-13/h2-11,23H,12H2,1H3