(3-cyanophenyl)methyl 4-methylsulfanylbenzoate

Systemtic Name: (3-cyanophenyl)methyl 4-methylsulfanylbenzoate Openeye Name: (3-cyanophenyl)methyl 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid (3-cyanobenzyl) ester Formula: C16H13NO2S MolecularWeight: 283.34492

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC2=CC=CC(=C2)C#N

InChI

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