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

Systemtic Name: tert-butyl 4-(3-chloranyl-5-cyano-pyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(3-chloro-5-cyano-2-pyridyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(3-chloro-5-cyano-2-pyridinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chloro-5-cyanopyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(3-chloro-5-cyano-2-pyridyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H31ClN6O3S MolecularWeight: 507.04864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=C(C=C(C=N3)C#N)Cl)N4CCNCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=C(C=C(C=N3)C#N)Cl)N4CCNCC4

InChI

InChI=1S/C23H31ClN6O3S/c1-22(2,3)33-21(32)30-14-23(29-6-4-26-5-7-29,19-17(24)10-16(12-25)13-27-19)11-18(30)20(31)28-8-9-34-15-28/h10,13,18,26H,4-9,11,14-15H2,1-3H3