tert-butyl 4-[4-(5-chloranyl-1-benzofuran-3-yl)piperidin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-(5-chloranyl-1-benzofuran-3-yl)piperidin-1-yl]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(5-chlorobenzofuran-3-yl)-1-piperidyl]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[4-(5-chloro-3-benzofuranyl)-1-piperidinyl]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(5-chloro-1-benzofuran-3-yl)piperidin-1-yl]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[4-(5-chlorobenzofuran-3-yl)piperidino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C26H34ClN3O4S MolecularWeight: 520.08386

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCC(CC3)C4=COC5=C4C=C(C=C5)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)N3CCC(CC3)C4=COC5=C4C=C(C=C5)Cl

InChI

InChI=1S/C26H34ClN3O4S/c1-26(2,3)34-25(32)30-14-19(13-22(30)24(31)29-10-11-35-16-29)28-8-6-17(7-9-28)21-15-33-23-5-4-18(27)12-20(21)23/h4-5,12,15,17,19,22H,6-11,13-14,16H2,1-3H3