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

Systemtic Name: (4-nitrophenyl)methyl 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[4-(hydroxymethyl)thiazol-2-yl]-2-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[4-(hydroxymethyl)-2-thiazolyl]-2-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-2-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-(4-methylolthiazol-2-yl)-2-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)OC1(CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)CO

Isomeric SMILES

CS(=O)(=O)OC1(CCCN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])C3=NC(=CS3)CO

InChI

InChI=1S/C17H19N3O8S2/c1-30(25,26)28-17(15-18-13(9-21)11-29-15)7-2-8-19(17)16(22)27-10-12-3-5-14(6-4-12)20(23)24/h3-6,11,21H,2,7-10H2,1H3