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

Systemtic Name: (4-nitrophenyl)methyl 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate Openeye Name: (4-nitrophenyl)methyl 2-[2-[(tert-butoxycarbonylamino)methyl]thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylate CAS Name: 2-[2-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-4-thiazolyl]-4-methylsulfonyloxy-1-pyrrolidinecarboxylic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-[2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,3-thiazol-4-yl]-4-methylsulfonyloxypyrrolidine-1-carboxylate Traditional Name: 2-[2-[(tert-butoxycarbonylamino)methyl]thiazol-4-yl]-4-methylsulfonyloxy-pyrrolidine-1-carboxylic acid (4-nitrobenzyl) ester Formula: C22H28N4O9S2 MolecularWeight: 556.60912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=NC(=CS1)C2CC(CN2C(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C22H28N4O9S2/c1-22(2,3)34-20(27)23-10-19-24-17(13-36-19)18-9-16(35-37(4,31)32)11-25(18)21(28)33-12-14-5-7-15(8-6-14)26(29)30/h5-8,13,16,18H,9-12H2,1-4H3,(H,23,27)