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

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 3-[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-(3-thiophen-2-yl-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-2-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(2-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=CC=CS3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCC2=NC(=NO2)C3=CC=CS3

InChI

InChI=1S/C18H14BrN3O4S/c1-2-24-13-9-11(10-20)8-12(19)17(13)25-16(23)6-5-15-21-18(22-26-15)14-4-3-7-27-14/h3-4,7-9H,2,5-6H2,1H3