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

Systemtic Name: dimethyl 2-ethylsulfanyl-2-[(2-ethylsulfanylcarbonyl-3,5-dinitro-phenyl)amino]propanedioate Openeye Name: dimethyl 2-ethylsulfanyl-2-(2-ethylsulfanylcarbonyl-3,5-dinitro-anilino)propanedioate CAS Name: 2-(ethylthio)-2-[2-[(ethylthio)-oxomethyl]-3,5-dinitroanilino]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-ethylsulfanyl-2-(2-ethylsulfanylcarbonyl-3,5-dinitroanilino)propanedioate Traditional Name: 2-(ethylthio)-2-[2-(ethylthio)carbonyl-3,5-dinitro-anilino]malonic acid dimethyl ester Formula: C16H19N3O9S2 MolecularWeight: 461.46676

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C1=C(C=C(C=C1NC(C(=O)OC)(C(=O)OC)SCC)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCSC(=O)C1=C(C=C(C=C1NC(C(=O)OC)(C(=O)OC)SCC)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O9S2/c1-5-29-13(20)12-10(7-9(18(23)24)8-11(12)19(25)26)17-16(30-6-2,14(21)27-3)15(22)28-4/h7-8,17H,5-6H2,1-4H3