3-(2-cyanophenyl)sulfanylpropanoate

Systemtic Name: 3-(2-cyanophenyl)sulfanylpropanoate Openeye Name: 3-(2-cyanophenyl)sulfanylpropanoate CAS Name: 3-[(2-cyanophenyl)thio]propanoate IUPAC Name: 3-(2-cyanophenyl)sulfanylpropanoate Traditional Name: 3-[(2-cyanophenyl)thio]propionate Formula: C10H8NO2S- MolecularWeight: 206.24102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C#N)SCCC(=O)[O-]

InChI

InChI=1S/C10H9NO2S/c11-7-8-3-1-2-4-9(8)14-6-5-10(12)13/h1-4H,5-6H2,(H,12,13)/p-1