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

Systemtic Name: tert-butyl 4-(3-chloranylpyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(3-chloro-2-pyridyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(3-chloro-2-pyridinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chloropyridin-2-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(3-chloro-2-pyridyl)-4-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)(C3=C(C=CC=N3)Cl)N4CCNCC4

Isomeric SMILES

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

InChI

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