(3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate

Systemtic Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Openeye Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate CAS Name: 3-(4-fluorophenyl)sulfonylpropanoic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-methyl-1,2,4-oxadiazol-5-yl)methyl 3-(4-fluorophenyl)sulfonylpropanoate Traditional Name: 3-(4-fluorophenyl)sulfonylpropionic acid (3-methyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C13H13FN2O5S MolecularWeight: 328.316123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NOC(=N1)COC(=O)CCS(=O)(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H13FN2O5S/c1-9-15-12(21-16-9)8-20-13(17)6-7-22(18,19)11-4-2-10(14)3-5-11/h2-5H,6-8H2,1H3