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

Systemtic Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(2-methylthiazol-4-yl)pyrrolidine-1-carboxylate CAS Name: 4-methylsulfonyloxy-2-(2-methyl-4-thiazolyl)-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 4-methylsulfonyloxy-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxylate Traditional Name: 4-methylsulfonyloxy-2-(2-methylthiazol-4-yl)pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H19N3O7S2 MolecularWeight: 441.47866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C17H19N3O7S2/c1-11-18-15(10-28-11)16-7-14(27-29(2,24)25)8-19(16)17(21)26-9-12-3-5-13(6-4-12)20(22)23/h3-6,10,14,16H,7-9H2,1-2H3