(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate

Systemtic Name: (8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoic acid (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionic acid (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl ester Formula: C20H16F2O5S MolecularWeight: 406.399846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCSC3=CC(=C(C=C3)F)F)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2COC(=O)CCSC3=CC(=C(C=C3)F)F)O

InChI

InChI=1S/C20H16F2O5S/c1-11-17(23)5-3-14-12(8-19(25)27-20(11)14)10-26-18(24)6-7-28-13-2-4-15(21)16(22)9-13/h2-5,8-9,23H,6-7,10H2,1H3