[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-cyanobenzoate

Systemtic Name: [2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl] 3-cyanobenzoate Openeye Name: [2-oxo-2-[2-(2-thienyl)ethylamino]ethyl] 3-cyanobenzoate CAS Name: 3-cyanobenzoic acid [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 3-cyanobenzoate Traditional Name: 3-cyanobenzoic acid [2-keto-2-[2-(2-thienyl)ethylamino]ethyl] ester Formula: C16H14N2O3S MolecularWeight: 314.35896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCC(=O)NCCC2=CC=CS2)C#N

InChI

InChI=1S/C16H14N2O3S/c17-10-12-3-1-4-13(9-12)16(20)21-11-15(19)18-7-6-14-5-2-8-22-14/h1-5,8-9H,6-7,11H2,(H,18,19)