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

Systemtic Name: tert-butyl 4-[(5-cyanopyridin-2-yl)-methyl-amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-cyano-2-pyridyl)-methyl-amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[(5-cyano-2-pyridinyl)-methylamino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-cyanopyridin-2-yl)-methylamino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(5-cyano-2-pyridyl)-methyl-amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O3S/c1-20(2,3)28-19(27)25-12-15(9-16(25)18(26)24-7-8-29-13-24)23(4)17-6-5-14(10-21)11-22-17/h5-6,11,15-16H,7-9,12-13H2,1-4H3