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

Systemtic Name: ethyl 1-ethyl-2-[1-[(2-methoxy-5-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanyl-benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[2-(2-methoxy-5-nitro-anilino)-1-methyl-2-oxo-ethyl]sulfanyl-benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]thio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[1-(2-methoxy-5-nitroanilino)-1-oxopropan-2-yl]sulfanylbenzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[[2-keto-2-(2-methoxy-5-nitro-anilino)-1-methyl-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=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SC(C)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

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