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

Systemtic Name: tert-butyl 4-(5-cyanopyridin-2-yl)-3-oxidanylidene-4-piperazin-1-yl-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(5-cyano-2-pyridyl)-3-oxo-4-piperazin-1-yl-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(5-cyano-2-pyridinyl)-3-oxo-2-[oxo(3-thiazolidinyl)methyl]-4-(1-piperazinyl)-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(5-cyanopyridin-2-yl)-3-oxo-4-piperazin-1-yl-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(5-cyano-2-pyridyl)-3-keto-4-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(C(=O)C1C(=O)N2CCSC2)(C3=NC=C(C=C3)C#N)N4CCNCC4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(C(=O)C1C(=O)N2CCSC2)(C3=NC=C(C=C3)C#N)N4CCNCC4

InChI

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