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

Systemtic Name: tert-butyl 4-[(2-chloranyl-4-cyano-phenyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(2-chloro-4-cyano-anilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(2-chloro-4-cyanoanilino)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-chloro-4-cyanoanilino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(2-chloro-4-cyano-anilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25ClN4O3S MolecularWeight: 436.9555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC3=C(C=C(C=C3)C#N)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC3=C(C=C(C=C3)C#N)Cl

InChI

InChI=1S/C20H25ClN4O3S/c1-20(2,3)28-19(27)25-11-14(9-17(25)18(26)24-6-7-29-12-24)23-16-5-4-13(10-22)8-15(16)21/h4-5,8,14,17,23H,6-7,9,11-12H2,1-3H3