ethyl 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-2-sulfanyl-butanoate

Systemtic Name: ethyl 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-2-sulfanyl-butanoate Openeye Name: ethyl 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-2-sulfanyl-butanoate CAS Name: 4-[1-[(2,4-dichlorophenyl)methyl]-2-benzimidazolyl]-2-mercaptobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]-2-sulfanylbutanoate Traditional Name: 4-[1-(2,4-dichlorobenzyl)benzimidazol-2-yl]-2-mercapto-butyric acid ethyl ester Formula: C20H20Cl2N2O2S MolecularWeight: 423.356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)Cl)Cl)S

Isomeric SMILES

CCOC(=O)C(CCC1=NC2=CC=CC=C2N1CC3=C(C=C(C=C3)Cl)Cl)S

InChI

InChI=1S/C20H20Cl2N2O2S/c1-2-26-20(25)18(27)9-10-19-23-16-5-3-4-6-17(16)24(19)12-13-7-8-14(21)11-15(13)22/h3-8,11,18,27H,2,9-10,12H2,1H3