3-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]propanoate

Systemtic Name: 3-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]propanoate Openeye Name: 3-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]propanoate CAS Name: 3-[(6-benzoyl-1H-benzimidazol-2-yl)thio]propanoate IUPAC Name: 3-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]propanoate Traditional Name: 3-[(6-benzoyl-1H-benzimidazol-2-yl)thio]propionate Formula: C17H13N2O3S- MolecularWeight: 325.36172

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)SCCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)SCCC(=O)[O-]

InChI

InChI=1S/C17H14N2O3S/c20-15(21)8-9-23-17-18-13-7-6-12(10-14(13)19-17)16(22)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,18,19)(H,20,21)/p-1