2-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid

Systemtic Name: 2-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid Openeye Name: 2-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]thiazole-4-carboxylic acid CAS Name: 2-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxy-oxomethyl]-2-pyrrolidinyl]-4-thiazolecarboxylic acid IUPAC Name: 2-[4-methylsulfonyloxy-1-[(4-nitrophenyl)methoxycarbonyl]pyrrolidin-2-yl]-1,3-thiazole-4-carboxylic acid Traditional Name: 2-[4-methylsulfonyloxy-1-(4-nitrobenzyl)oxycarbonyl-pyrrolidin-2-yl]thiazole-4-carboxylic acid Formula: C17H17N3O9S2 MolecularWeight: 471.46158

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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=NC(=CS3)C(=O)O

Isomeric SMILES

CS(=O)(=O)OC1CC(N(C1)C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)C(=O)O

InChI

InChI=1S/C17H17N3O9S2/c1-31(26,27)29-12-6-14(15-18-13(9-30-15)16(21)22)19(7-12)17(23)28-8-10-2-4-11(5-3-10)20(24)25/h2-5,9,12,14H,6-8H2,1H3,(H,21,22)