[(1R)-1-cyanoethyl] 2-[(1R)-1-cyanoethyl]sulfanylbenzoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(1R)-1-cyanoethyl]sulfanylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(1R)-1-cyanoethyl]sulfanylbenzoate CAS Name: 2-[[(1R)-1-cyanoethyl]thio]benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(1R)-1-cyanoethyl]sulfanylbenzoate Traditional Name: 2-[[(1R)-1-cyanoethyl]thio]benzoic acid [(1R)-1-cyanoethyl] ester Formula: C13H12N2O2S MolecularWeight: 260.31158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC=CC=C1SC(C)C#N

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC=CC=C1S[C@H](C)C#N

InChI

InChI=1S/C13H12N2O2S/c1-9(7-14)17-13(16)11-5-3-4-6-12(11)18-10(2)8-15/h3-6,9-10H,1-2H3/t9-,10-/m1/s1