2-[2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[2-(2,3-dimethylphenoxy)ethylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[2-(2,3-dimethylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[2-(2,3-dimethylphenoxy)ethylthio]benzimidazol-1-yl]acetic acid Formula: C19H20N2O3S MolecularWeight: 356.4387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O)C

Isomeric SMILES

CC1=C(C(=CC=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O)C

InChI

InChI=1S/C19H20N2O3S/c1-13-6-5-9-17(14(13)2)24-10-11-25-19-20-15-7-3-4-8-16(15)21(19)12-18(22)23/h3-9H,10-12H2,1-2H3,(H,22,23)