[2-(4-cyanobutylsulfanyl)phenyl] ethanoate

Systemtic Name: [2-(4-cyanobutylsulfanyl)phenyl] ethanoate Openeye Name: [2-(4-cyanobutylsulfanyl)phenyl] acetate CAS Name: acetic acid [2-(4-cyanobutylthio)phenyl] ester IUPAC Name: [2-(4-cyanobutylsulfanyl)phenyl] acetate Traditional Name: acetic acid [2-(4-cyanobutylthio)phenyl] ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1SCCCCC#N

Isomeric SMILES

CC(=O)OC1=CC=CC=C1SCCCCC#N

InChI

InChI=1S/C13H15NO2S/c1-11(15)16-12-7-3-4-8-13(12)17-10-6-2-5-9-14/h3-4,7-8H,2,5-6,10H2,1H3