(3-cyanophenyl)methyl 2-methylsulfanylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 2-methylsulfanylbenzoate Openeye Name: (3-cyanophenyl)methyl 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid (3-cyanobenzyl) ester Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H13NO2S/c1-20-15-8-3-2-7-14(15)16(18)19-11-13-6-4-5-12(9-13)10-17/h2-9H,11H2,1H3