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

Systemtic Name: ethyl 2-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 2-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]butanoate CAS Name: 2-[(6-benzoyl-1H-benzimidazol-2-yl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 2-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]butanoate Traditional Name: 2-[(6-benzoyl-1H-benzimidazol-2-yl)thio]butyric acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-3-17(19(24)25-4-2)26-20-21-15-11-10-14(12-16(15)22-20)18(23)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3,(H,21,22)