dimethyl 2-tert-butylsulfanyl-2-[(2-tert-butylsulfanylcarbonyl-3,5-dinitro-phenyl)amino]propanedioate

Systemtic Name: dimethyl 2-tert-butylsulfanyl-2-[(2-tert-butylsulfanylcarbonyl-3,5-dinitro-phenyl)amino]propanedioate Openeye Name: dimethyl 2-tert-butylsulfanyl-2-(2-tert-butylsulfanylcarbonyl-3,5-dinitro-anilino)propanedioate CAS Name: 2-(tert-butylthio)-2-[2-[(tert-butylthio)-oxomethyl]-3,5-dinitroanilino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-tert-butylsulfanyl-2-(2-tert-butylsulfanylcarbonyl-3,5-dinitroanilino)propanedioate Traditional Name: 2-(tert-butylthio)-2-[2-(tert-butylthio)carbonyl-3,5-dinitro-anilino]malonic acid dimethyl ester Formula: C20H27N3O9S2 MolecularWeight: 517.57308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(=O)C1=C(C=C(C=C1NC(C(=O)OC)(C(=O)OC)SC(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)SC(=O)C1=C(C=C(C=C1NC(C(=O)OC)(C(=O)OC)SC(C)(C)C)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O9S2/c1-18(2,3)33-15(24)14-12(9-11(22(27)28)10-13(14)23(29)30)21-20(16(25)31-7,17(26)32-8)34-19(4,5)6/h9-10,21H,1-8H3