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

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C20H16F2O4S MolecularWeight: 390.400446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H16F2O4S/c1-12-2-4-15-13(9-20(24)26-18(15)8-12)11-25-19(23)6-7-27-14-3-5-16(21)17(22)10-14/h2-5,8-10H,6-7,11H2,1H3