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

Systemtic Name: tert-butyl 4-[(3-chloranyl-4-methoxy-phenyl)amino]-2-(1,3-thiazolidin-3-ylcarbonyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 4-(3-chloro-4-methoxy-anilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate CAS Name: 4-(3-chloro-4-methoxyanilino)-2-[oxo(3-thiazolidinyl)methyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(3-chloro-4-methoxyanilino)-2-(1,3-thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate Traditional Name: 4-(3-chloro-4-methoxy-anilino)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H28ClN3O4S MolecularWeight: 441.97202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClN3O4S/c1-20(2,3)28-19(26)24-11-14(10-16(24)18(25)23-7-8-29-12-23)22-13-5-6-17(27-4)15(21)9-13/h5-6,9,14,16,22H,7-8,10-12H2,1-4H3