diethyl 2-[(5-nitro-2-propylsulfanylcarbonyl-phenyl)amino]-2-propylsulfanyl-propanedioate

Systemtic Name: diethyl 2-[(5-nitro-2-propylsulfanylcarbonyl-phenyl)amino]-2-propylsulfanyl-propanedioate Openeye Name: diethyl 2-(5-nitro-2-propylsulfanylcarbonyl-anilino)-2-propylsulfanyl-propanedioate CAS Name: 2-[5-nitro-2-[oxo-(propylthio)methyl]anilino]-2-(propylthio)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(5-nitro-2-propylsulfanylcarbonylanilino)-2-propylsulfanylpropanedioate Traditional Name: 2-[5-nitro-2-(propylthio)carbonyl-anilino]-2-(propylthio)malonic acid diethyl ester Formula: C20H28N2O7S2 MolecularWeight: 472.57552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O7S2/c1-5-11-30-17(23)15-10-9-14(22(26)27)13-16(15)21-20(31-12-6-2,18(24)28-7-3)19(25)29-8-4/h9-10,13,21H,5-8,11-12H2,1-4H3