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

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-azanyl-1,3-thiazol-4-yl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-aminothiazol-4-yl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-(2-amino-4-thiazolyl)-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-(2-amino-1,3-thiazol-4-yl)-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-2-(2-aminothiazol-4-yl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H18N4O7S2 MolecularWeight: 442.46672

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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)N

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)N

InChI

InChI=1S/C16H18N4O7S2/c1-29(24,25)27-12-6-14(13-9-28-15(17)18-13)19(7-12)16(21)26-8-10-2-4-11(5-3-10)20(22)23/h2-5,9,12,14H,6-8H2,1H3,(H2,17,18)/t12-,14+/m1/s1