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

Systemtic Name: tert-butyl 4-(2-aminocarbonylquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(2-carbamoyl-4-quinolyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-carbamoyl-4-quinolinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-carbamoylquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-carbamoyl-4-quinolyl)-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H36N6O4S MolecularWeight: 540.67754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC(=NC4=CC=CC=C43)C(=O)N)N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC(=NC4=CC=CC=C43)C(=O)N)N5CCNCC5

InChI

InChI=1S/C27H36N6O4S/c1-26(2,3)37-25(36)33-16-27(32-10-8-29-9-11-32,15-22(33)24(35)31-12-13-38-17-31)19-14-21(23(28)34)30-20-7-5-4-6-18(19)20/h4-7,14,22,29H,8-13,15-17H2,1-3H3,(H2,28,34)