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

Systemtic Name: ethyl 1-ethyl-2-[2-[(2-fluoranyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(2-fluoro-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(2-fluoro-5-nitroanilino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(2-fluoro-5-nitroanilino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-(2-fluoro-5-nitro-anilino)-2-keto-ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C20H19FN4O5S MolecularWeight: 446.452063

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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=CC(=C3)[N+](=O)[O-])F

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O5S/c1-3-24-17-8-5-12(19(27)30-4-2)9-16(17)23-20(24)31-11-18(26)22-15-10-13(25(28)29)6-7-14(15)21/h5-10H,3-4,11H2,1-2H3,(H,22,26)