ethyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate Openeye Name: ethyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethyl-benzimidazole-5-carboxylate CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-1-ethyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-1-ethyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=C(C=CC(=C3)C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)OCC)N=C1SCC3=C(C=CC(=C3)C)C

InChI

InChI=1S/C21H24N2O2S/c1-5-23-19-10-9-16(20(24)25-6-2)12-18(19)22-21(23)26-13-17-11-14(3)7-8-15(17)4/h7-12H,5-6,13H2,1-4H3