(4-nitrophenyl)methyl (2S,4R)-2-[(methylcarbamothioylamino)carbamoyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl (2S,4R)-2-[(methylcarbamothioylamino)carbamoyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl (2S,4R)-2-[(methylcarbamothioylamino)carbamoyl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: (2S,4R)-2-[[[methylamino(sulfanylidene)methyl]hydrazo]-oxomethyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl (2S,4R)-2-[(methylcarbamothioylamino)carbamoyl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: (2S,4R)-4-methylsulfonyloxy-2-[(methylthiocarbamoylamino)carbamoyl]pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C16H21N5O8S2 MolecularWeight: 475.49664

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NNC(=O)C1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CNC(=S)NNC(=O)[C@@H]1C[C@H](CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C16H21N5O8S2/c1-17-15(30)19-18-14(22)13-7-12(29-31(2,26)27)8-20(13)16(23)28-9-10-3-5-11(6-4-10)21(24)25/h3-6,12-13H,7-9H2,1-2H3,(H,18,22)(H2,17,19,30)/t12-,13+/m1/s1