(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C12H8BrN3O3S MolecularWeight: 354.17922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1=CSC(=C1)C2=NOC(=N2)COC(=O)C3=CC(=CN3)Br

InChI

InChI=1S/C12H8BrN3O3S/c13-7-4-8(14-5-7)12(17)18-6-10-15-11(16-19-10)9-2-1-3-20-9/h1-5,14H,6H2