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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC(=C(C=C3)F)F

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC(=C(C=C3)F)F

InChI

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