diethyl 2-[(3,5-dinitro-2-propylsulfanylcarbonyl-phenyl)amino]-2-propylsulfanyl-propanedioate

Systemtic Name: diethyl 2-[(3,5-dinitro-2-propylsulfanylcarbonyl-phenyl)amino]-2-propylsulfanyl-propanedioate Openeye Name: diethyl 2-(3,5-dinitro-2-propylsulfanylcarbonyl-anilino)-2-propylsulfanyl-propanedioate CAS Name: 2-[3,5-dinitro-2-[oxo-(propylthio)methyl]anilino]-2-(propylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3,5-dinitro-2-propylsulfanylcarbonylanilino)-2-propylsulfanylpropanedioate Traditional Name: 2-[3,5-dinitro-2-(propylthio)carbonyl-anilino]-2-(propylthio)malonic acid diethyl ester Formula: C20H27N3O9S2 MolecularWeight: 517.57308

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(=O)C1=C(C=C(C=C1NC(C(=O)OCC)(C(=O)OCC)SCCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCCSC(=O)C1=C(C=C(C=C1NC(C(=O)OCC)(C(=O)OCC)SCCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H27N3O9S2/c1-5-9-33-17(24)16-14(11-13(22(27)28)12-15(16)23(29)30)21-20(34-10-6-2,18(25)31-7-3)19(26)32-8-4/h11-12,21H,5-10H2,1-4H3