ethyl 2-[[4-[[4-(2,3-dihydrobenzimidazol-1-yl)-3,5-dinitro-phenyl]carbonylamino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[[4-[[4-(2,3-dihydrobenzimidazol-1-yl)-3,5-dinitro-phenyl]carbonylamino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[4-[[4-(2,3-dihydrobenzimidazol-1-yl)-3,5-dinitro-benzoyl]amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-[[[4-(2,3-dihydrobenzimidazol-1-yl)-3,5-dinitrophenyl]-oxomethyl]amino]phenyl]sulfonylamino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[[4-(2,3-dihydrobenzimidazol-1-yl)-3,5-dinitrobenzoyl]amino]phenyl]sulfonylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[4-[[4-(2,3-dihydrobenzimidazol-1-yl)-3,5-dinitro-benzoyl]amino]phenyl]sulfonylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C27H23N7O9S2 MolecularWeight: 653.64302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CNC5=CC=CC=C54)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C(C(=C3)[N+](=O)[O-])N4CNC5=CC=CC=C54)[N+](=O)[O-])C

InChI

InChI=1S/C27H23N7O9S2/c1-3-43-26(36)24-15(2)29-27(44-24)31-45(41,42)18-10-8-17(9-11-18)30-25(35)16-12-21(33(37)38)23(22(13-16)34(39)40)32-14-28-19-6-4-5-7-20(19)32/h4-13,28H,3,14H2,1-2H3,(H,29,31)(H,30,35)