ethyl 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate

Systemtic Name: ethyl 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[2-chloro-4-(methylthio)phenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[2-chloro-4-(methylthio)benzyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C19H19ClN2O2S MolecularWeight: 374.88436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)SC)Cl)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)SC)Cl)C

InChI

InChI=1S/C19H19ClN2O2S/c1-4-24-19(23)13-6-8-17-18(9-13)22(12(2)21-17)11-14-5-7-15(25-3)10-16(14)20/h5-10H,4,11H2,1-3H3