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

Systemtic Name: tert-butyl 4-(5-aminocarbonyl-3-chloranyl-pyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(5-carbamoyl-3-chloro-2-pyridyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(5-carbamoyl-3-chloro-2-pyridinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-carbamoyl-3-chloropyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(5-carbamoyl-3-chloro-2-pyridyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H33ClN6O4S MolecularWeight: 525.06392

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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(=O)N)Cl)N4CCNCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H33ClN6O4S/c1-22(2,3)34-21(33)30-13-23(29-6-4-26-5-7-29,11-17(30)20(32)28-8-9-35-14-28)18-16(24)10-15(12-27-18)19(25)31/h10,12,17,26H,4-9,11,13-14H2,1-3H3,(H2,25,31)