3-oxidanylidene-4-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]butanoic acid

Systemtic Name: 3-oxidanylidene-4-[[6-(phenylcarbonyl)-1H-benzimidazol-2-yl]sulfanyl]butanoic acid Openeye Name: 4-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxo-butanoic acid CAS Name: 4-[(6-benzoyl-1H-benzimidazol-2-yl)thio]-3-oxobutanoic acid IUPAC Name: 4-[(6-benzoyl-1H-benzimidazol-2-yl)sulfanyl]-3-oxobutanoic acid Traditional Name: 4-[(6-benzoyl-1H-benzimidazol-2-yl)thio]-3-keto-butyric acid Formula: C18H14N2O4S MolecularWeight: 354.37976

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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)SCC(=O)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N=C(N3)SCC(=O)CC(=O)O

InChI

InChI=1S/C18H14N2O4S/c21-13(9-16(22)23)10-25-18-19-14-7-6-12(8-15(14)20-18)17(24)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,19,20)(H,22,23)