(4-bromanyl-2-fluoranyl-phenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (4-bromanyl-2-fluoranyl-phenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (4-bromo-2-fluoro-phenyl)methyl 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (4-bromo-2-fluorophenyl)methyl ester IUPAC Name: (4-bromo-2-fluorophenyl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid (4-bromo-2-fluoro-benzyl) ester Formula: C16H12BrFN2O3S MolecularWeight: 411.245483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)COC(=O)CCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC(=C(C=C1Br)F)COC(=O)CCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C16H12BrFN2O3S/c17-12-2-1-10(13(18)7-12)8-22-15(21)4-3-14-19-16(20-23-14)11-5-6-24-9-11/h1-2,5-7,9H,3-4,8H2