cyanomethyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate

Systemtic Name: cyanomethyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Openeye Name: cyanomethyl (2S)-1-(3,5-dimethylisoxazol-4-yl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2-pyrrolidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-(3,5-dimethylisoxazol-4-yl)sulfonylpyrrolidine-2-carboxylic acid cyanomethyl ester Formula: C12H15N3O5S MolecularWeight: 313.3296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)OCC#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[C@H]2C(=O)OCC#N

InChI

InChI=1S/C12H15N3O5S/c1-8-11(9(2)20-14-8)21(17,18)15-6-3-4-10(15)12(16)19-7-5-13/h10H,3-4,6-7H2,1-2H3/t10-/m0/s1