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

Systemtic Name: tert-butyl 4-[4-(3-chloranyl-5-cyano-pyridin-2-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(3-chloro-5-cyano-2-pyridyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(3-chloro-5-cyano-2-pyridinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(3-chloro-5-cyanopyridin-2-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(3-chloro-5-cyano-2-pyridyl)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)N3CCN(CC3)C4=C(C=C(C=N4)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(CC3)C4=C(C=C(C=N4)C#N)Cl

InChI

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