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

Systemtic Name: tert-butyl 4-(4-cyanopyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(4-cyano-2-pyridyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(4-cyano-2-pyridinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-cyanopyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(4-cyano-2-pyridyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H32N6O3S MolecularWeight: 472.60358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC=CC(=C3)C#N)N4CCNCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=NC=CC(=C3)C#N)N4CCNCC4

InChI

InChI=1S/C23H32N6O3S/c1-22(2,3)32-21(31)29-15-23(28-8-6-25-7-9-28,19-12-17(14-24)4-5-26-19)13-18(29)20(30)27-10-11-33-16-27/h4-5,12,18,25H,6-11,13,15-16H2,1-3H3