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

Systemtic Name: ethyl 2-[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(2-bromo-4-nitroanilino)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C20H19BrN4O5S MolecularWeight: 507.35766

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C20H19BrN4O5S/c1-3-24-17-8-5-12(19(27)30-4-2)9-16(17)23-20(24)31-11-18(26)22-15-7-6-13(25(28)29)10-14(15)21/h5-10H,3-4,11H2,1-2H3,(H,22,26)