ethyl 5-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]pentanoate

Systemtic Name: ethyl 5-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]pentanoate Openeye Name: ethyl 5-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]pentanoate CAS Name: 5-[(6-benzoyl-1H-benzimidazol-2-yl)thio]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]pentanoate Traditional Name: 5-[(6-benzoyl-1H-benzimidazol-2-yl)thio]valeric acid ethyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCSC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCSC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-2-26-19(24)10-6-7-13-27-21-22-17-12-11-16(14-18(17)23-21)20(25)15-8-4-3-5-9-15/h3-5,8-9,11-12,14H,2,6-7,10,13H2,1H3,(H,22,23)