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

Systemtic Name: tert-butyl 1-[(5-cyanopyridin-2-yl)amino]-4-ethanoyl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-acetyl-1-[(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate CAS Name: 4-acetyl-1-[(5-cyano-2-pyridinyl)amino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-acetyl-1-[(5-cyanopyridin-2-yl)amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-acetyl-1-[(5-cyano-2-pyridyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H28N5O4S+ MolecularWeight: 446.54312

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1CC([N+](C1)(C(=O)OC(C)(C)C)NC2=NC=C(C=C2)C#N)C(=O)N3CCSC3

Isomeric SMILES

CC(=O)C1CC([N+](C1)(C(=O)OC(C)(C)C)NC2=NC=C(C=C2)C#N)C(=O)N3CCSC3

InChI

InChI=1S/C21H28N5O4S/c1-14(27)16-9-17(19(28)25-7-8-31-13-25)26(12-16,20(29)30-21(2,3)4)24-18-6-5-15(10-22)11-23-18/h5-6,11,16-17H,7-9,12-13H2,1-4H3,(H,23,24)/q+1