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

Systemtic Name: ethyl 1-ethyl-2-[2-[(5-methoxy-2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(5-methoxy-2-methyl-4-nitro-anilino)-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(5-methoxy-2-methyl-4-nitro-anilino)ethyl]thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C22H24N4O6S MolecularWeight: 472.51416

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

InChI

InChI=1S/C22H24N4O6S/c1-5-25-17-8-7-14(21(28)32-6-2)10-16(17)24-22(25)33-12-20(27)23-15-11-19(31-4)18(26(29)30)9-13(15)3/h7-11H,5-6,12H2,1-4H3,(H,23,27)