(4-nitrophenyl)methyl 2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[2-(hydroxymethyl)-4-thiazolyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(hydroxymethyl)-1,3-thiazol-4-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(2-methylolthiazol-4-yl)-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N3O8S2 MolecularWeight: 457.47806

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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)CO

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O8S2/c1-30(25,26)28-13-6-15(14-10-29-16(8-21)18-14)19(7-13)17(22)27-9-11-2-4-12(5-3-11)20(23)24/h2-5,10,13,15,21H,6-9H2,1H3