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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-(methylamino)-1,3-thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-(methylamino)thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[2-(methylamino)-4-thiazolyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-(methylamino)-1,3-thiazol-4-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[2-(methylamino)thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C17H20N4O7S2 MolecularWeight: 456.4933

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CNC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C17H20N4O7S2/c1-18-16-19-14(10-29-16)15-7-13(28-30(2,25)26)8-20(15)17(22)27-9-11-3-5-12(6-4-11)21(23)24/h3-6,10,13,15H,7-9H2,1-2H3,(H,18,19)