ethyl 2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C26H23BrN4O5S MolecularWeight: 583.45362

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C3=CC=CC=C3)C(=O)NC4=C(C=C(C=C4)[N+](=O)[O-])Br

InChI

InChI=1S/C26H23BrN4O5S/c1-3-30-22-13-10-17(25(33)36-4-2)14-21(22)29-26(30)37-23(16-8-6-5-7-9-16)24(32)28-20-12-11-18(31(34)35)15-19(20)27/h5-15,23H,3-4H2,1-2H3,(H,28,32)