2-oxidanylidene-2-[6-phenyl-3-(phenylmethylsulfanyl)-2H-pyran-4-yl]ethanoic acid

Systemtic Name: 2-oxidanylidene-2-[6-phenyl-3-(phenylmethylsulfanyl)-2H-pyran-4-yl]ethanoic acid Openeye Name: 2-(3-benzylsulfanyl-6-phenyl-2H-pyran-4-yl)-2-oxo-acetic acid CAS Name: 2-oxo-2-[6-phenyl-3-(phenylmethylthio)-2H-pyran-4-yl]acetic acid IUPAC Name: 2-(3-benzylsulfanyl-6-phenyl-2H-pyran-4-yl)-2-oxoacetic acid Traditional Name: 2-[3-(benzylthio)-6-phenyl-2H-pyran-4-yl]-2-keto-acetic acid Formula: C20H16O4S MolecularWeight: 352.40364

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(C=C(O1)C2=CC=CC=C2)C(=O)C(=O)O)SCC3=CC=CC=C3

Isomeric SMILES

C1C(=C(C=C(O1)C2=CC=CC=C2)C(=O)C(=O)O)SCC3=CC=CC=C3

InChI

InChI=1S/C20H16O4S/c21-19(20(22)23)16-11-17(15-9-5-2-6-10-15)24-12-18(16)25-13-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,22,23)