[(1R)-1-cyanoethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Openeye Name: [(1R)-1-cyanoethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate CAS Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[(2,4-dimethylphenyl)sulfanylmethyl]benzoate Traditional Name: 3-[[(2,4-dimethylphenyl)thio]methyl]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C19H19NO2S MolecularWeight: 325.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)OC(C)C#N)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC2=CC=CC(=C2)C(=O)O[C@H](C)C#N)C

InChI

InChI=1S/C19H19NO2S/c1-13-7-8-18(14(2)9-13)23-12-16-5-4-6-17(10-16)19(21)22-15(3)11-20/h4-10,15H,12H2,1-3H3/t15-/m1/s1