tert-butyl 4-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[6-methoxy-2-(trifluoromethyl)-4-quinolyl]-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[6-methoxy-2-(trifluoromethyl)-4-quinolinyl]-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-methoxy-2-(trifluoromethyl)quinolin-4-yl]-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[6-methoxy-2-(trifluoromethyl)-4-quinolyl]-4-piperazino-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C28H36F3N5O4S MolecularWeight: 595.67675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC(=NC4=C3C=C(C=C4)OC)C(F)(F)F)N5CCNCC5

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)(C3=CC(=NC4=C3C=C(C=C4)OC)C(F)(F)F)N5CCNCC5

InChI

InChI=1S/C28H36F3N5O4S/c1-26(2,3)40-25(38)36-16-27(35-9-7-32-8-10-35,15-22(36)24(37)34-11-12-41-17-34)20-14-23(28(29,30)31)33-21-6-5-18(39-4)13-19(20)21/h5-6,13-14,22,32H,7-12,15-17H2,1-4H3