(3-cyano-1-phenyl-propyl) 2-phenylsulfanylethanoate

Systemtic Name: (3-cyano-1-phenyl-propyl) 2-phenylsulfanylethanoate Openeye Name: (3-cyano-1-phenyl-propyl) 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid (3-cyano-1-phenylpropyl) ester IUPAC Name: (3-cyano-1-phenylpropyl) 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid (3-cyano-1-phenyl-propyl) ester Formula: C18H17NO2S MolecularWeight: 311.39808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCC#N)OC(=O)CSC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(CCC#N)OC(=O)CSC2=CC=CC=C2

InChI

InChI=1S/C18H17NO2S/c19-13-7-12-17(15-8-3-1-4-9-15)21-18(20)14-22-16-10-5-2-6-11-16/h1-6,8-11,17H,7,12,14H2