methyl 2-[[3-(cyanomethyl)phenyl]sulfanylmethyl]benzoate

Systemtic Name: methyl 2-[[3-(cyanomethyl)phenyl]sulfanylmethyl]benzoate Openeye Name: methyl 2-[[3-(cyanomethyl)phenyl]sulfanylmethyl]benzoate CAS Name: 2-[[[3-(cyanomethyl)phenyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(cyanomethyl)phenyl]sulfanylmethyl]benzoate Traditional Name: 2-[[[3-(cyanomethyl)phenyl]thio]methyl]benzoic acid methyl ester Formula: C17H15NO2S MolecularWeight: 297.3715

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1CSC2=CC=CC(=C2)CC#N

Isomeric SMILES

COC(=O)C1=CC=CC=C1CSC2=CC=CC(=C2)CC#N

InChI

InChI=1S/C17H15NO2S/c1-20-17(19)16-8-3-2-6-14(16)12-21-15-7-4-5-13(11-15)9-10-18/h2-8,11H,9,12H2,1H3