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

Systemtic Name: tert-butyl 4-[butyl-[(4-cyanophenyl)methyl]amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[butyl-[(4-cyanophenyl)methyl]amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[butyl-[(4-cyanophenyl)methyl]amino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[butyl-[(4-cyanophenyl)methyl]amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[butyl-(4-cyanobenzyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C25H36N4O3S MolecularWeight: 472.64334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=C(C=C1)C#N)C2CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3

Isomeric SMILES

CCCCN(CC1=CC=C(C=C1)C#N)C2CC(N(C2)C(=O)OC(C)(C)C)C(=O)N3CCSC3

InChI

InChI=1S/C25H36N4O3S/c1-5-6-11-27(16-20-9-7-19(15-26)8-10-20)21-14-22(23(30)28-12-13-33-18-28)29(17-21)24(31)32-25(2,3)4/h7-10,21-22H,5-6,11-14,16-18H2,1-4H3