[(1S)-1-cyanoethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 3,6-bis(chloranyl)-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 3,6-dichlorobenzothiophene-2-carboxylate CAS Name: 3,6-dichloro-1-benzothiophene-2-carboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 3,6-dichloro-1-benzothiophene-2-carboxylate Traditional Name: 3,6-dichlorobenzothiophene-2-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C12H7Cl2NO2S MolecularWeight: 300.16048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

Isomeric SMILES

C[C@@H](C#N)OC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl

InChI

InChI=1S/C12H7Cl2NO2S/c1-6(5-15)17-12(16)11-10(14)8-3-2-7(13)4-9(8)18-11/h2-4,6H,1H3/t6-/m0/s1