3-[5-[(2-methylsulfanylpyridin-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[5-[(2-methylsulfanylpyridin-3-yl)carbonylamino]benzimidazol-1-yl]-3-phenyl-propanoic acid Openeye Name: 3-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenyl-propanoic acid CAS Name: 3-[5-[[[2-(methylthio)-3-pyridinyl]-oxomethyl]amino]-1-benzimidazolyl]-3-phenylpropanoic acid IUPAC Name: 3-[5-[(2-methylsulfanylpyridine-3-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid Traditional Name: 3-[5-[[2-(methylthio)nicotinoyl]amino]benzimidazol-1-yl]-3-phenyl-propionic acid Formula: C23H20N4O3S MolecularWeight: 432.4949

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)NC2=CC3=C(C=C2)N(C=N3)C(CC(=O)O)C4=CC=CC=C4

InChI

InChI=1S/C23H20N4O3S/c1-31-23-17(8-5-11-24-23)22(30)26-16-9-10-19-18(12-16)25-14-27(19)20(13-21(28)29)15-6-3-2-4-7-15/h2-12,14,20H,13H2,1H3,(H,26,30)(H,28,29)