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

Systemtic Name: (4-cyanophenyl)methyl (2S)-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]pyrrolidine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl (2S)-1-(3,5-dimethylisoxazol-4-yl)sulfonylpyrrolidine-2-carboxylate CAS Name: (2S)-1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2-pyrrolidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (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 (4-cyanobenzyl) ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCCC2C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC[C@H]2C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H19N3O5S/c1-12-17(13(2)26-20-12)27(23,24)21-9-3-4-16(21)18(22)25-11-15-7-5-14(10-19)6-8-15/h5-8,16H,3-4,9,11H2,1-2H3/t16-/m0/s1