2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoic acid

Systemtic Name: 2-[(2-pyridin-4-yl-3H-benzimidazol-5-yl)carbonylamino]-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoic acid Openeye Name: 2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]-3-[3-(trifluoromethyl)phenyl]sulfanyl-propanoic acid CAS Name: 2-[[oxo-(2-pyridin-4-yl-3H-benzimidazol-5-yl)methyl]amino]-3-[[3-(trifluoromethyl)phenyl]thio]propanoic acid IUPAC Name: 2-[(2-pyridin-4-yl-3H-benzimidazole-5-carbonyl)amino]-3-[3-(trifluoromethyl)phenyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(4-pyridyl)-3H-benzimidazole-5-carbonyl]amino]-3-[[3-(trifluoromethyl)phenyl]thio]propionic acid Formula: C23H17F3N4O3S MolecularWeight: 486.46629

Click to see the large picture

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(F)(F)F

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(F)(F)F

InChI

InChI=1S/C23H17F3N4O3S/c24-23(25,26)15-2-1-3-16(11-15)34-12-19(22(32)33)30-21(31)14-4-5-17-18(10-14)29-20(28-17)13-6-8-27-9-7-13/h1-11,19H,12H2,(H,28,29)(H,30,31)(H,32,33)