(4-cyano-5-ethoxy-5-oxidanylidene-pentyl)sulfanyl benzoate

Systemtic Name: (4-cyano-5-ethoxy-5-oxidanylidene-pentyl)sulfanyl benzoate Openeye Name: (4-cyano-5-ethoxy-5-oxo-pentyl)sulfanyl benzoate CAS Name: benzoic acid [(4-cyano-5-ethoxy-5-oxopentyl)thio] ester IUPAC Name: (4-cyano-5-ethoxy-5-oxopentyl)sulfanyl benzoate Traditional Name: benzoic acid [(4-cyano-5-ethoxy-5-keto-pentyl)thio] ester Formula: C15H17NO4S MolecularWeight: 307.36478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCSOC(=O)C1=CC=CC=C1)C#N

Isomeric SMILES

CCOC(=O)C(CCCSOC(=O)C1=CC=CC=C1)C#N

InChI

InChI=1S/C15H17NO4S/c1-2-19-14(17)13(11-16)9-6-10-21-20-15(18)12-7-4-3-5-8-12/h3-5,7-8,13H,2,6,9-10H2,1H3