[(1S)-1-cyanoethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [(1S)-1-cyanoethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [(1S)-1-cyanoethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [(1S)-1-cyanoethyl] ester Formula: C13H11NO2S MolecularWeight: 245.29694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OC(C)C#N

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)O[C@@H](C)C#N

InChI

InChI=1S/C13H11NO2S/c1-8(7-14)16-13(15)12-9(2)10-5-3-4-6-11(10)17-12/h3-6,8H,1-2H3/t8-/m0/s1