ethyl 1-ethyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]benzimidazole-5-carboxylate

Systemtic Name: ethyl 1-ethyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]benzimidazole-5-carboxylate Openeye Name: ethyl 1-ethyl-2-[(2-methoxy-5-methyl-phenyl)methylsulfanyl]benzimidazole-5-carboxylate CAS Name: 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylthio]-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-2-[(2-methoxy-5-methylphenyl)methylsulfanyl]benzimidazole-5-carboxylate Traditional Name: 1-ethyl-2-[(2-methoxy-5-methyl-benzyl)thio]benzimidazole-5-carboxylic acid ethyl ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-5-23-18-9-8-15(20(24)26-6-2)12-17(18)22-21(23)27-13-16-11-14(3)7-10-19(16)25-4/h7-12H,5-6,13H2,1-4H3