2-[6-oxidanylidene-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]-2-phenoxy-ethanoic acid

Systemtic Name: 2-[6-oxidanylidene-3-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]-2-phenoxy-ethanoic acid Openeye Name: 2-[3-(2-isopropylphenyl)sulfanyl-6-oxo-pyran-2-yl]-2-phenoxy-acetic acid CAS Name: 2-[6-oxo-3-[(2-propan-2-ylphenyl)thio]-2-pyranyl]-2-phenoxyacetic acid IUPAC Name: 2-[6-oxo-3-(2-propan-2-ylphenyl)sulfanylpyran-2-yl]-2-phenoxyacetic acid Traditional Name: 2-[6-keto-3-(o-cumenylthio)pyran-2-yl]-2-phenoxy-acetic acid Formula: C22H20O5S MolecularWeight: 396.4562

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1SC2=C(OC(=O)C=C2)C(C(=O)O)OC3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1SC2=C(OC(=O)C=C2)C(C(=O)O)OC3=CC=CC=C3

InChI

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