[2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-oxidanylideneimidazolidin-1-yl)ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzoate CAS Name: 4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzoic acid [2-oxo-2-(2-oxo-1-imidazolidinyl)ethyl] ester IUPAC Name: [2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzoic acid [2-keto-2-(2-ketoimidazolidin-1-yl)ethyl] ester Formula: C16H14N4O6S2 MolecularWeight: 422.43556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)C(=O)OCC(=O)N3CCNC3=O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O6S2/c1-9-8-27-16(18-9)28-12-3-2-10(6-11(12)20(24)25)14(22)26-7-13(21)19-5-4-17-15(19)23/h2-3,6,8H,4-5,7H2,1H3,(H,17,23)