[(1R)-1-cyanoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate CAS Name: 2-[(2-fluorophenyl)methylthio]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(2-fluorophenyl)methylsulfanyl]benzoate Traditional Name: 2-[(2-fluorobenzyl)thio]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C17H14FNO2S MolecularWeight: 315.361963

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1SCC2=CC=CC=C2F

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1SCC2=CC=CC=C2F

InChI

InChI=1S/C17H14FNO2S/c1-12(10-19)21-17(20)14-7-3-5-9-16(14)22-11-13-6-2-4-8-15(13)18/h2-9,12H,11H2,1H3/t12-/m1/s1