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

Systemtic Name: (7-acetamido-2-oxidanylidene-chromen-4-yl)methyl 3-[3,4-bis(fluoranyl)phenyl]sulfanylpropanoate Openeye Name: (7-acetamido-2-oxo-chromen-4-yl)methyl 3-(3,4-difluorophenyl)sulfanylpropanoate CAS Name: 3-[(3,4-difluorophenyl)thio]propanoic acid (7-acetamido-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-acetamido-2-oxochromen-4-yl)methyl 3-(3,4-difluorophenyl)sulfanylpropanoate Traditional Name: 3-[(3,4-difluorophenyl)thio]propionic acid (7-acetamido-2-keto-chromen-4-yl)methyl ester Formula: C21H17F2NO5S MolecularWeight: 433.425186

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC(=C(C=C3)F)F

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCSC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H17F2NO5S/c1-12(25)24-14-2-4-16-13(8-21(27)29-19(16)9-14)11-28-20(26)6-7-30-15-3-5-17(22)18(23)10-15/h2-5,8-10H,6-7,11H2,1H3,(H,24,25)