tert-butyl 4-(4-pyridin-4-ylpiperazin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(4-pyridin-4-ylpiperazin-1-yl)-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(4-pyridyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 2-[oxo(3-thiazolidinyl)methyl]-4-(4-pyridin-4-yl-1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(4-pyridin-4-ylpiperazin-1-yl)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(4-pyridyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H33N5O3S MolecularWeight: 447.59412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=CC=NC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=CC=NC=C4

InChI

InChI=1S/C22H33N5O3S/c1-22(2,3)30-21(29)27-15-18(14-19(27)20(28)26-12-13-31-16-26)25-10-8-24(9-11-25)17-4-6-23-7-5-17/h4-7,18-19H,8-16H2,1-3H3