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

Systemtic Name: [(1R)-1-cyanoethyl] 2-ethylsulfonylbenzoate Openeye Name: [(1R)-1-cyanoethyl] 2-ethylsulfonylbenzoate CAS Name: 2-ethylsulfonylbenzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-ethylsulfonylbenzoate Traditional Name: 2-esylbenzoic acid [(1R)-1-cyanoethyl] ester Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=CC=C1C(=O)OC(C)C#N

Isomeric SMILES

CCS(=O)(=O)C1=CC=CC=C1C(=O)O[C@H](C)C#N

InChI

InChI=1S/C12H13NO4S/c1-3-18(15,16)11-7-5-4-6-10(11)12(14)17-9(2)8-13/h4-7,9H,3H2,1-2H3/t9-/m1/s1