3-(1H-benzimidazol-2-ylsulfanyl)-3-pyridin-2-yl-propanoic acid

Systemtic Name: 3-(1H-benzimidazol-2-ylsulfanyl)-3-pyridin-2-yl-propanoic acid Openeye Name: 3-(1H-benzimidazol-2-ylsulfanyl)-3-(2-pyridyl)propanoic acid CAS Name: 3-(1H-benzimidazol-2-ylthio)-3-(2-pyridinyl)propanoic acid IUPAC Name: 3-(1H-benzimidazol-2-ylsulfanyl)-3-pyridin-2-ylpropanoic acid Traditional Name: 3-(1H-benzimidazol-2-ylthio)-3-(2-pyridyl)propionic acid Formula: C15H13N3O2S MolecularWeight: 299.34762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)SC(CC(=O)O)C3=CC=CC=N3

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)SC(CC(=O)O)C3=CC=CC=N3

InChI

InChI=1S/C15H13N3O2S/c19-14(20)9-13(12-7-3-4-8-16-12)21-15-17-10-5-1-2-6-11(10)18-15/h1-8,13H,9H2,(H,17,18)(H,19,20)