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

Systemtic Name: ethyl 2-[4-(6-oxidanyl-4-oxidanylidene-5-phenethylsulfanyl-pyran-2-yl)phenyl]ethanoate Openeye Name: ethyl 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanyl-pyran-2-yl)phenyl]acetate CAS Name: 2-[4-[6-hydroxy-4-oxo-5-(phenethylthio)-2-pyranyl]phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(6-hydroxy-4-oxo-5-phenethylsulfanylpyran-2-yl)phenyl]acetate Traditional Name: 2-[4-[6-hydroxy-4-keto-5-(phenethylthio)pyran-2-yl]phenyl]acetic acid ethyl ester Formula: C23H22O5S MolecularWeight: 410.48278

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CC=C(C=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3

InChI

InChI=1S/C23H22O5S/c1-2-27-21(25)14-17-8-10-18(11-9-17)20-15-19(24)22(23(26)28-20)29-13-12-16-6-4-3-5-7-16/h3-11,15,26H,2,12-14H2,1H3