3-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-[2-(4-methylphenoxy)ethylthio]-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-[2-(4-methylphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-[2-(4-methylphenoxy)ethylthio]benzimidazol-1-yl]propionic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O

InChI

InChI=1S/C19H20N2O3S/c1-14-6-8-15(9-7-14)24-12-13-25-19-20-16-4-2-3-5-17(16)21(19)11-10-18(22)23/h2-9H,10-13H2,1H3,(H,22,23)