[(2R)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(2-oxidanylideneimidazolidin-1-yl)propan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-isopentylsulfanyl-3-nitro-benzoate CAS Name: 4-(3-methylbutylthio)-3-nitrobenzoic acid [(2R)-1-oxo-1-(2-oxo-1-imidazolidinyl)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl] 4-(3-methylbutylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(isoamylthio)-3-nitro-benzoic acid [(1R)-2-keto-2-(2-ketoimidazolidin-1-yl)-1-methyl-ethyl] ester Formula: C18H23N3O6S MolecularWeight: 409.45672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)OC(C)C(=O)N2CCNC2=O)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N1CCNC1=O)OC(=O)C2=CC(=C(C=C2)SCCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H23N3O6S/c1-11(2)6-9-28-15-5-4-13(10-14(15)21(25)26)17(23)27-12(3)16(22)20-8-7-19-18(20)24/h4-5,10-12H,6-9H2,1-3H3,(H,19,24)/t12-/m1/s1