diethyl 2-ethylsulfanyl-2-[(2-ethylsulfanylcarbonyl-3,5-dinitro-phenyl)amino]propanedioate

Systemtic Name: diethyl 2-ethylsulfanyl-2-[(2-ethylsulfanylcarbonyl-3,5-dinitro-phenyl)amino]propanedioate Openeye Name: diethyl 2-ethylsulfanyl-2-(2-ethylsulfanylcarbonyl-3,5-dinitro-anilino)propanedioate CAS Name: 2-(ethylthio)-2-[2-[(ethylthio)-oxomethyl]-3,5-dinitroanilino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-ethylsulfanyl-2-(2-ethylsulfanylcarbonyl-3,5-dinitroanilino)propanedioate Traditional Name: 2-(ethylthio)-2-[2-(ethylthio)carbonyl-3,5-dinitro-anilino]malonic acid diethyl ester Formula: C18H23N3O9S2 MolecularWeight: 489.51992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O9S2/c1-5-29-16(23)18(32-8-4,17(24)30-6-2)19-12-9-11(20(25)26)10-13(21(27)28)14(12)15(22)31-7-3/h9-10,19H,5-8H2,1-4H3