(4-cyanophenyl)methyl 3-phenylsulfanylpropanoate

Systemtic Name: (4-cyanophenyl)methyl 3-phenylsulfanylpropanoate Openeye Name: (4-cyanophenyl)methyl 3-phenylsulfanylpropanoate CAS Name: 3-(phenylthio)propanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-phenylsulfanylpropanoate Traditional Name: 3-(phenylthio)propionic acid (4-cyanobenzyl) ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCC(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

C1=CC=C(C=C1)SCCC(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H15NO2S/c18-12-14-6-8-15(9-7-14)13-20-17(19)10-11-21-16-4-2-1-3-5-16/h1-9H,10-11,13H2