tert-butyl 4-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 4-[(5-chloranyl-2-nitro-phenyl)carbonylamino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-[(5-chloro-2-nitro-benzoyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-[[(5-chloro-2-nitrophenyl)-oxomethyl]amino]-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(5-chloro-2-nitrobenzoyl)amino]-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-[(5-chloro-2-nitro-benzoyl)amino]-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H25ClN4O6S MolecularWeight: 484.9537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1C(=O)N2CCSC2)NC(=O)C3=C(C=CC(=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H25ClN4O6S/c1-20(2,3)31-19(28)24-10-13(9-16(24)18(27)23-6-7-32-11-23)22-17(26)14-8-12(21)4-5-15(14)25(29)30/h4-5,8,13,16H,6-7,9-11H2,1-3H3,(H,22,26)