tert-butyl 4-(7-chloranylquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-(7-chloranylquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(7-chloro-4-quinolyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(7-chloro-4-quinolinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(7-chloroquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(7-chloro-4-quinolyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H34ClN5O3S MolecularWeight: 532.09786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=C4C=CC(=CC4=NC=C3)Cl)N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=C4C=CC(=CC4=NC=C3)Cl)N5CCNCC5

InChI

InChI=1S/C26H34ClN5O3S/c1-25(2,3)35-24(34)32-16-26(31-10-8-28-9-11-31,15-22(32)23(33)30-12-13-36-17-30)20-6-7-29-21-14-18(27)4-5-19(20)21/h4-7,14,22,28H,8-13,15-17H2,1-3H3