3-[3-oxidanyl-3-oxidanylidene-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propyl]sulfanylbenzoic acid

Systemtic Name: 3-[3-oxidanyl-3-oxidanylidene-2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]propyl]sulfanylbenzoic acid Openeye Name: 3-[3-hydroxy-3-oxo-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propyl]sulfanylbenzoic acid CAS Name: 3-[[3-hydroxy-3-oxo-2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]propyl]thio]benzoic acid IUPAC Name: 3-[3-hydroxy-3-oxo-2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]propyl]sulfanylbenzoic acid Traditional Name: 3-[[3-hydroxy-3-keto-2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]propyl]thio]benzoic acid Formula: C23H18N4O5S MolecularWeight: 462.47782

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)SCC(C(=O)O)NC(=O)C2=CC3=C(C=C2)N=C(N3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C23H18N4O5S/c28-21(27-19(23(31)32)12-33-16-3-1-2-15(10-16)22(29)30)14-4-5-17-18(11-14)26-20(25-17)13-6-8-24-9-7-13/h1-11,19H,12H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)