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

Systemtic Name: tert-butyl 4-[4-(5-chloranylpyridin-2-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-chloro-2-pyridyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(5-chloro-2-pyridinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-chloropyridin-2-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(5-chloro-2-pyridyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H32ClN5O3S MolecularWeight: 482.03918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32ClN5O3S/c1-22(2,3)31-21(30)28-14-17(12-18(28)20(29)27-10-11-32-15-27)25-6-8-26(9-7-25)19-5-4-16(23)13-24-19/h4-5,13,17-18H,6-12,14-15H2,1-3H3