[2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[(6-bromanyl-2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(6-bromo-2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-[(6-bromo-2-keto-1,3-dihydrobenzimidazol-5-yl)amino]-2-keto-ethyl] ester Formula: C17H13BrN4O6S MolecularWeight: 481.27732

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C3C(=C2)NC(=O)N3)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H13BrN4O6S/c1-29-14-3-2-8(4-13(14)22(26)27)16(24)28-7-15(23)19-10-6-12-11(5-9(10)18)20-17(25)21-12/h2-6H,7H2,1H3,(H,19,23)(H2,20,21,25)