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

Systemtic Name: ethyl 3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate Openeye Name: ethyl 3-[(4-tert-butylsulfanyl-2-chloro-phenyl)methyl]-2-methyl-benzimidazole-5-carboxylate CAS Name: 3-[[4-(tert-butylthio)-2-chlorophenyl]methyl]-2-methyl-5-benzimidazolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methylbenzimidazole-5-carboxylate Traditional Name: 3-[4-(tert-butylthio)-2-chloro-benzyl]-2-methyl-benzimidazole-5-carboxylic acid ethyl ester Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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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(C)(C)C)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O2S/c1-6-27-21(26)15-8-10-19-20(11-15)25(14(2)24-19)13-16-7-9-17(12-18(16)23)28-22(3,4)5/h7-12H,6,13H2,1-5H3