tert-butyl 4-[2-[(5-cyanopyridin-2-yl)amino]ethylamino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(5-cyanopyridin-2-yl)amino]ethylamino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(5-cyano-2-pyridyl)amino]ethylamino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[2-[(5-cyano-2-pyridinyl)amino]ethylamino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(5-cyanopyridin-2-yl)amino]ethylamino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[2-[(5-cyano-2-pyridyl)amino]ethylamino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H30N6O3S MolecularWeight: 446.5663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NCCNC3=NC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NCCNC3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H30N6O3S/c1-21(2,3)30-20(29)27-13-16(10-17(27)19(28)26-8-9-31-14-26)23-6-7-24-18-5-4-15(11-22)12-25-18/h4-5,12,16-17,23H,6-10,13-14H2,1-3H3,(H,24,25)