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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1C2=NOC(=N2)COC(=O)C3=CC(=CN3)Br

Isomeric SMILES

C1=CSC=C1C2=NOC(=N2)COC(=O)C3=CC(=CN3)Br

InChI

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