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

Systemtic Name: tert-butyl 4-[(3,4-dicyanophenyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(3,4-dicyanoanilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(3,4-dicyanoanilino)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3,4-dicyanoanilino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(3,4-dicyanoanilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N5O3S/c1-21(2,3)29-20(28)26-12-17(9-18(26)19(27)25-6-7-30-13-25)24-16-5-4-14(10-22)15(8-16)11-23/h4-5,8,17-18,24H,6-7,9,12-13H2,1-3H3