ethyl 2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[[2-(3,5-dimethylanilino)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C22H25N3O3S/c1-5-25-19-8-7-16(21(27)28-6-2)12-18(19)24-22(25)29-13-20(26)23-17-10-14(3)9-15(4)11-17/h7-12H,5-6,13H2,1-4H3,(H,23,26)