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

Systemtic Name: tert-butyl 4-[4-(5-cyanopyridin-2-yl)-3-oxidanylidene-piperazin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-cyano-2-pyridyl)-3-oxo-piperazin-1-yl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(5-cyano-2-pyridinyl)-3-oxo-1-piperazinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-cyanopyridin-2-yl)-3-oxopiperazin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(5-cyano-2-pyridyl)-3-keto-piperazino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C23H30N6O4S MolecularWeight: 486.5871

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(C(=O)C3)C4=NC=C(C=C4)C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCN(C(=O)C3)C4=NC=C(C=C4)C#N

InChI

InChI=1S/C23H30N6O4S/c1-23(2,3)33-22(32)29-13-17(10-18(29)21(31)27-8-9-34-15-27)26-6-7-28(20(30)14-26)19-5-4-16(11-24)12-25-19/h4-5,12,17-18H,6-10,13-15H2,1-3H3