(4-nitrophenyl)methyl (2S,4R)-4-methylsulfonyloxy-2-(1,3-thiazol-4-yl)pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-4-methylsulfonyloxy-2-(1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-4-methylsulfonyloxy-2-thiazol-4-yl-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-4-methylsulfonyloxy-2-(4-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-4-methylsulfonyloxy-2-(1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-methylsulfonyloxy-2-thiazol-4-yl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H17N3O7S2 MolecularWeight: 427.45208

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=N3

Isomeric SMILES

CS(=O)(=O)O[C@@H]1C[C@H](N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=CSC=N3

InChI

InChI=1S/C16H17N3O7S2/c1-28(23,24)26-13-6-15(14-9-27-10-17-14)18(7-13)16(20)25-8-11-2-4-12(5-3-11)19(21)22/h2-5,9-10,13,15H,6-8H2,1H3/t13-,15+/m1/s1