(2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-cyanobenzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 3-cyanobenzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C14H9NO3S MolecularWeight: 271.29116

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=CS2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)C2=CC=CS2)C#N

InChI

InChI=1S/C14H9NO3S/c15-8-10-3-1-4-11(7-10)14(17)18-9-12(16)13-5-2-6-19-13/h1-7H,9H2