(E)-4-(4-bromanyl-2-fluoranyl-phenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoate

Systemtic Name: (E)-4-(4-bromanyl-2-fluoranyl-phenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoate Openeye Name: (E)-4-(4-bromo-2-fluoro-phenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoate CAS Name: (E)-4-(4-bromo-2-fluorophenyl)-3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]-3-butenoate IUPAC Name: (E)-4-(4-bromo-2-fluorophenyl)-3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)but-3-enoate Traditional Name: (E)-4-(4-bromo-2-fluoro-phenyl)-3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]but-3-enoate Formula: C16H9BrFN2O3S- MolecularWeight: 408.221663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)F)C=C(CC(=O)[O-])C2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

C1=CC(=C(C=C1Br)F)/C=C(\CC(=O)[O-])/C2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C16H10BrFN2O3S/c17-12-2-1-9(13(18)7-12)5-11(6-14(21)22)16-19-15(20-23-16)10-3-4-24-8-10/h1-5,7-8H,6H2,(H,21,22)/p-1/b11-5+