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

Systemtic Name: propan-2-yl 2-[(2-oxidanyl-4-oxidanylidene-6-phenyl-pyran-3-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20O5S/c1-14(2)26-21(24)17-11-7-6-10-16(17)13-28-20-18(23)12-19(27-22(20)25)15-8-4-3-5-9-15/h3-12,14,25H,13H2,1-2H3