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

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(2-oxamoyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(2-oxamoylthiazol-4-yl)pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-(2-oxamoyl-4-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(2-oxamoyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-(2-oxamoylthiazol-4-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C18H18N4O9S2 MolecularWeight: 498.48692

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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)C(=O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O9S2/c1-33(28,29)31-12-6-14(13-9-32-17(20-13)15(23)16(19)24)21(7-12)18(25)30-8-10-2-4-11(5-3-10)22(26)27/h2-5,9,12,14H,6-8H2,1H3,(H2,19,24)