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

Systemtic Name: tert-butyl 4-[4-[3,5-bis(chloranyl)pyridin-4-yl]piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3,5-dichloro-4-pyridyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(3,5-dichloro-4-pyridinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3,5-dichloropyridin-4-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(3,5-dichloro-4-pyridyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H31Cl2N5O3S MolecularWeight: 516.48424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=C(C=NC=C4Cl)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=C(C=NC=C4Cl)Cl

InChI

InChI=1S/C22H31Cl2N5O3S/c1-22(2,3)32-21(31)29-13-15(10-18(29)20(30)28-8-9-33-14-28)26-4-6-27(7-5-26)19-16(23)11-25-12-17(19)24/h11-12,15,18H,4-10,13-14H2,1-3H3