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

Systemtic Name: tert-butyl 4-(2-methylquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(2-methyl-4-quinolyl)-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-methyl-4-quinolinyl)-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-methylquinolin-4-yl)-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-methyl-4-quinolyl)-4-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)C3(CC(N(C3)C(=O)OC(C)(C)C)C(=O)N4CCSC4)N5CCNCC5

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C3(CC(N(C3)C(=O)OC(C)(C)C)C(=O)N4CCSC4)N5CCNCC5

InChI

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