(4-nitrophenyl)methyl (2S,4R)-2-carbamothioyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-carbamothioyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-carbamothioyl-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-carbamothioyl-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-carbamothioyl-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-methylsulfonyloxy-2-thiocarbamoyl-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C14H17N3O7S2 MolecularWeight: 403.43068

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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-])C(=S)N

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O7S2/c1-26(21,22)24-11-6-12(13(15)25)16(7-11)14(18)23-8-9-2-4-10(5-3-9)17(19)20/h2-5,11-12H,6-8H2,1H3,(H2,15,25)/t11-,12+/m1/s1