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

Systemtic Name: 2-[2-[2-(4-butoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[2-(4-butoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid CAS Name: 2-[2-[2-(4-butoxyphenoxy)ethylthio]-1-benzimidazolyl]acetic acid IUPAC Name: 2-[2-[2-(4-butoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]acetic acid Traditional Name: 2-[2-[2-(4-butoxyphenoxy)ethylthio]benzimidazol-1-yl]acetic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CC(=O)O

InChI

InChI=1S/C21H24N2O4S/c1-2-3-12-26-16-8-10-17(11-9-16)27-13-14-28-21-22-18-6-4-5-7-19(18)23(21)15-20(24)25/h4-11H,2-3,12-15H2,1H3,(H,24,25)