(2-cyanophenyl)methyl 5-bromanylthiophene-2-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 5-bromanylthiophene-2-carboxylate Openeye Name: (2-cyanophenyl)methyl 5-bromothiophene-2-carboxylate CAS Name: 5-bromo-2-thiophenecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 5-bromothiophene-2-carboxylate Traditional Name: 5-bromothiophene-2-carboxylic acid (2-cyanobenzyl) ester Formula: C13H8BrNO2S MolecularWeight: 322.17712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC=C(S2)Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC=C(S2)Br)C#N

InChI

InChI=1S/C13H8BrNO2S/c14-12-6-5-11(18-12)13(16)17-8-10-4-2-1-3-9(10)7-15/h1-6H,8H2