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

Systemtic Name: tert-butyl 4-[(2-cyanophenyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(2-cyanoanilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-cyanoanilino)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-cyanoanilino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-cyanoanilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC3=CC=CC=C3C#N

InChI

InChI=1S/C20H26N4O3S/c1-20(2,3)27-19(26)24-12-15(22-16-7-5-4-6-14(16)11-21)10-17(24)18(25)23-8-9-28-13-23/h4-7,15,17,22H,8-10,12-13H2,1-3H3