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

Systemtic Name: tert-butyl 4-[(5-cyanopyridin-2-yl)-ethanoyl-amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[acetyl-(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[acetyl-(5-cyano-2-pyridinyl)amino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[acetyl-(5-cyanopyridin-2-yl)amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[acetyl-(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H27N5O4S MolecularWeight: 445.53518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1CC(N(C1)C(=O)OC(C)(C)C)C(=O)N2CCSC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

CC(=O)N(C1CC(N(C1)C(=O)OC(C)(C)C)C(=O)N2CCSC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C21H27N5O4S/c1-14(27)26(18-6-5-15(10-22)11-23-18)16-9-17(19(28)24-7-8-31-13-24)25(12-16)20(29)30-21(2,3)4/h5-6,11,16-17H,7-9,12-13H2,1-4H3