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

Systemtic Name: ethyl 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-sulfanyl-butanoate Openeye Name: ethyl 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-sulfanyl-butanoate CAS Name: 4-[1-[(4-chlorophenyl)methyl]-2-benzimidazolyl]-2-mercaptobutanoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]-2-sulfanylbutanoate Traditional Name: 4-[1-(4-chlorobenzyl)benzimidazol-2-yl]-2-mercapto-butyric acid ethyl ester Formula: C20H21ClN2O2S MolecularWeight: 388.91094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O2S/c1-2-25-20(24)18(26)11-12-19-22-16-5-3-4-6-17(16)23(19)13-14-7-9-15(21)10-8-14/h3-10,18,26H,2,11-13H2,1H3