ethyl 2-[3-(2-cyanoethyl)phenyl]sulfanylethanoate

Systemtic Name: ethyl 2-[3-(2-cyanoethyl)phenyl]sulfanylethanoate Openeye Name: ethyl 2-[3-(2-cyanoethyl)phenyl]sulfanylacetate CAS Name: 2-[[3-(2-cyanoethyl)phenyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(2-cyanoethyl)phenyl]sulfanylacetate Traditional Name: 2-[[3-(2-cyanoethyl)phenyl]thio]acetic acid ethyl ester Formula: C13H15NO2S MolecularWeight: 249.3287

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=CC=CC(=C1)CCC#N

Isomeric SMILES

CCOC(=O)CSC1=CC=CC(=C1)CCC#N

InChI

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