ethyl 4-[5-chloranyl-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoate

Systemtic Name: ethyl 4-[5-chloranyl-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoate Openeye Name: ethyl 4-[5-chloro-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethyl-butanoate CAS Name: 4-[5-chloro-1-[[4-(methylthio)phenyl]methyl]-2-benzimidazolyl]-3,3-dimethylbutanoic acid ethyl ester IUPAC Name: ethyl 4-[5-chloro-1-[(4-methylsulfanylphenyl)methyl]benzimidazol-2-yl]-3,3-dimethylbutanoate Traditional Name: 4-[5-chloro-1-[4-(methylthio)benzyl]benzimidazol-2-yl]-3,3-dimethyl-butyric acid ethyl ester Formula: C23H27ClN2O2S MolecularWeight: 430.99068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)(C)CC1=NC2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)Cl

Isomeric SMILES

CCOC(=O)CC(C)(C)CC1=NC2=C(N1CC3=CC=C(C=C3)SC)C=CC(=C2)Cl

InChI

InChI=1S/C23H27ClN2O2S/c1-5-28-22(27)14-23(2,3)13-21-25-19-12-17(24)8-11-20(19)26(21)15-16-6-9-18(29-4)10-7-16/h6-12H,5,13-15H2,1-4H3