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

Systemtic Name: tert-butyl 4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-methyl-4-quinolyl)piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(2-methyl-4-quinolinyl)-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-methylquinolin-4-yl)piperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(2-methyl-4-quinolyl)piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H37N5O3S MolecularWeight: 511.67938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4CC(N(C4)C(=O)OC(C)(C)C)C(=O)N5CCSC5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)N3CCN(CC3)C4CC(N(C4)C(=O)OC(C)(C)C)C(=O)N5CCSC5

InChI

InChI=1S/C27H37N5O3S/c1-19-15-23(21-7-5-6-8-22(21)28-19)30-11-9-29(10-12-30)20-16-24(25(33)31-13-14-36-18-31)32(17-20)26(34)35-27(2,3)4/h5-8,15,20,24H,9-14,16-18H2,1-4H3