tert-butyl 4-(5-nitropyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(5-nitropyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(5-nitro-2-pyridyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(5-nitro-2-pyridinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-nitropyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(5-nitro-2-pyridyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H32N6O5S MolecularWeight: 492.59168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC=C(C=C3)[N+](=O)[O-])N4CCNCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC=C(C=C3)[N+](=O)[O-])N4CCNCC4

InChI

InChI=1S/C22H32N6O5S/c1-21(2,3)33-20(30)27-14-22(26-8-6-23-7-9-26,18-5-4-16(13-24-18)28(31)32)12-17(27)19(29)25-10-11-34-15-25/h4-5,13,17,23H,6-12,14-15H2,1-3H3