[(1R)-1-cyanoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-chlorophenyl)thio]methyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C17H14ClNO2S MolecularWeight: 331.81656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=CC=C1)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H14ClNO2S/c1-12(10-19)21-17(20)14-4-2-3-13(9-14)11-22-16-7-5-15(18)6-8-16/h2-9,12H,11H2,1H3/t12-/m1/s1