[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)ethyl] ester Formula: C20H17N3O7S MolecularWeight: 443.42988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C20H17N3O7S/c1-31-16-7-6-12(10-15(16)23(28)29)18(25)13-4-2-3-5-14(13)19(26)30-11-17(24)22-9-8-21-20(22)27/h2-7,10H,8-9,11H2,1H3,(H,21,27)