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

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

CCCC(C(=O)OCC)SC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCCC(C(=O)OCC)SC1=NC2=C(N1)C=C(C=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-3-8-18(20(25)26-4-2)27-21-22-16-12-11-15(13-17(16)23-21)19(24)14-9-6-5-7-10-14/h5-7,9-13,18H,3-4,8H2,1-2H3,(H,22,23)