2-[5-(phenylcarbonyl)-2-(pyridin-2-ylsulfinylmethyl)benzimidazol-1-yl]propanoic acid

Systemtic Name: 2-[5-(phenylcarbonyl)-2-(pyridin-2-ylsulfinylmethyl)benzimidazol-1-yl]propanoic acid Openeye Name: 2-[5-benzoyl-2-(2-pyridylsulfinylmethyl)benzimidazol-1-yl]propanoic acid CAS Name: 2-[5-benzoyl-2-(2-pyridinylsulfinylmethyl)-1-benzimidazolyl]propanoic acid IUPAC Name: 2-[5-benzoyl-2-(pyridin-2-ylsulfinylmethyl)benzimidazol-1-yl]propanoic acid Traditional Name: 2-[5-benzoyl-2-(2-pyridylsulfinylmethyl)benzimidazol-1-yl]propionic acid Formula: C23H19N3O4S MolecularWeight: 433.47966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N=C1CS(=O)C4=CC=CC=N4

Isomeric SMILES

CC(C(=O)O)N1C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3)N=C1CS(=O)C4=CC=CC=N4

InChI

InChI=1S/C23H19N3O4S/c1-15(23(28)29)26-19-11-10-17(22(27)16-7-3-2-4-8-16)13-18(19)25-20(26)14-31(30)21-9-5-6-12-24-21/h2-13,15H,14H2,1H3,(H,28,29)