(7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: (7-ethyl-2-oxidanylidene-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: (7-ethyl-2-oxo-chromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid (7-ethyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethyl-2-oxochromen-4-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid (7-ethyl-2-keto-chromen-4-yl)methyl ester Formula: C21H19FO6S MolecularWeight: 418.435363

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)CCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H19FO6S/c1-2-14-3-8-18-15(12-21(24)28-19(18)11-14)13-27-20(23)9-10-29(25,26)17-6-4-16(22)5-7-17/h3-8,11-12H,2,9-10,13H2,1H3