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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=C(OC(=CC2=O)C3=CC=CC=C3)O

InChI

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