2-[2-[2-(4-tert-butylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-(4-tert-butylphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[2-(4-tert-butylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[2-(4-tert-butylphenoxy)ethylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[2-(4-tert-butylphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[2-(4-tert-butylphenoxy)ethylthio]benzimidazol-1-yl]acetic acid Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-21(2,3)15-8-10-16(11-9-15)26-12-13-27-20-22-17-6-4-5-7-18(17)23(20)14-19(24)25/h4-11H,12-14H2,1-3H3,(H,24,25)