methyl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 2-[(2-hydroxy-4-oxo-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(2-hydroxy-4-oxo-6-phenyl-3-pyranyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-hydroxy-4-oxo-6-phenylpyran-3-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(2-hydroxy-4-keto-6-phenyl-pyran-3-yl)thio]methyl]benzoic acid methyl ester Formula: C20H16O5S MolecularWeight: 368.40304

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

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