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

Systemtic Name: tert-butyl 4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)-4-[2-(trifluoromethyl)quinolin-4-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)-4-[2-(trifluoromethyl)-4-quinolyl]pyrrolidine-1-carboxylate CAS Name: 2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-4-[2-(trifluoromethyl)-4-quinolinyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)-4-[2-(trifluoromethyl)quinolin-4-yl]pyrrolidine-1-carboxylate Traditional Name: 4-piperazino-2-(thiazolidine-3-carbonyl)-4-[2-(trifluoromethyl)-4-quinolyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H34F3N5O3S MolecularWeight: 565.65077

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34F3N5O3S/c1-25(2,3)38-24(37)35-16-26(34-10-8-31-9-11-34,15-21(35)23(36)33-12-13-39-17-33)19-14-22(27(28,29)30)32-20-7-5-4-6-18(19)20/h4-7,14,21,31H,8-13,15-17H2,1-3H3