ethyl 2-[5-(2-cyanoethyl)-2-phenylsulfanyl-phenyl]ethanoate

Systemtic Name: ethyl 2-[5-(2-cyanoethyl)-2-phenylsulfanyl-phenyl]ethanoate Openeye Name: ethyl 2-[5-(2-cyanoethyl)-2-phenylsulfanyl-phenyl]acetate CAS Name: 2-[5-(2-cyanoethyl)-2-(phenylthio)phenyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(2-cyanoethyl)-2-phenylsulfanylphenyl]acetate Traditional Name: 2-[5-(2-cyanoethyl)-2-(phenylthio)phenyl]acetic acid ethyl ester Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(C=CC(=C1)CCC#N)SC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CC1=C(C=CC(=C1)CCC#N)SC2=CC=CC=C2

InChI

InChI=1S/C19H19NO2S/c1-2-22-19(21)14-16-13-15(7-6-12-20)10-11-18(16)23-17-8-4-3-5-9-17/h3-5,8-11,13H,2,6-7,14H2,1H3