ethyl 2-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]ethanoate

Systemtic Name: ethyl 2-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenoxy]ethanoate Openeye Name: ethyl 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)phenoxy]acetate CAS Name: 2-[4-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]phenoxy]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)phenoxy]acetate Traditional Name: 2-[4-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]phenoxy]acetic acid ethyl ester Formula: C23H22O6S MolecularWeight: 426.48218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)COC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3

InChI

InChI=1S/C23H22O6S/c1-2-27-21(25)15-28-18-10-8-17(9-11-18)20-14-19(24)22(23(26)29-20)30-13-12-16-6-4-3-5-7-16/h3-11,14,26H,2,12-13,15H2,1H3