(2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 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 (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 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 (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C18H14BrN3O4S MolecularWeight: 448.29046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCC2=NC(=NO2)C3=CSC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCC2=NC(=NO2)C3=CSC=C3

InChI

InChI=1S/C18H14BrN3O4S/c1-2-24-14-8-11(9-20)7-13(19)17(14)25-16(23)4-3-15-21-18(22-26-15)12-5-6-27-10-12/h5-8,10H,2-4H2,1H3