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

Systemtic Name: diethyl 2-tert-butylsulfanyl-2-[(2-tert-butylsulfanylcarbonyl-3,5-dinitro-phenyl)amino]propanedioate Openeye Name: diethyl 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 diethyl ester IUPAC Name: diethyl 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 diethyl ester Formula: C22H31N3O9S2 MolecularWeight: 545.62624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)(NC1=CC(=CC(=C1C(=O)SC(C)(C)C)[N+](=O)[O-])[N+](=O)[O-])SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)(NC1=CC(=CC(=C1C(=O)SC(C)(C)C)[N+](=O)[O-])[N+](=O)[O-])SC(C)(C)C

InChI

InChI=1S/C22H31N3O9S2/c1-9-33-18(27)22(19(28)34-10-2,36-21(6,7)8)23-14-11-13(24(29)30)12-15(25(31)32)16(14)17(26)35-20(3,4)5/h11-12,23H,9-10H2,1-8H3