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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(dimethoxymethyl)-1,3-thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(dimethoxymethyl)thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[2-(dimethoxymethyl)-4-thiazolyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(dimethoxymethyl)-1,3-thiazol-4-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[2-(dimethoxymethyl)thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C19H23N3O9S2 MolecularWeight: 501.53062

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Descriptors Computed from Structure

Canonical SMILES:

COC(C1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C)OC

Isomeric SMILES

COC(C1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C)OC

InChI

InChI=1S/C19H23N3O9S2/c1-28-18(29-2)17-20-15(11-32-17)16-8-14(31-33(3,26)27)9-21(16)19(23)30-10-12-4-6-13(7-5-12)22(24)25/h4-7,11,14,16,18H,8-10H2,1-3H3