ethyl (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate

Systemtic Name: ethyl (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Openeye Name: ethyl (2R)-2-cyano-3-(p-tolylsulfonyloxy)-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate CAS Name: (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-(4-methylphenyl)sulfonyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylate Traditional Name: (2R)-2-cyano-3-tosyloxy-3-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid ethyl ester Formula: C17H18N2O5S MolecularWeight: 362.40022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C2CC(N1OS(=O)(=O)C3=CC=C(C=C3)C)C=C2)C#N

Isomeric SMILES

CCOC(=O)[C@@]1(C2CC(N1OS(=O)(=O)C3=CC=C(C=C3)C)C=C2)C#N

InChI

InChI=1S/C17H18N2O5S/c1-3-23-16(20)17(11-18)13-6-7-14(10-13)19(17)24-25(21,22)15-8-4-12(2)5-9-15/h4-9,13-14H,3,10H2,1-2H3/t13?,14?,17-/m0/s1