2-ethanoylsulfanyl-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propanoic acid

Systemtic Name: 2-ethanoylsulfanyl-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propanoic acid Openeye Name: 2-acetylsulfanyl-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propanoic acid CAS Name: 2-(acetylthio)-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-acetylsulfanyl-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propanoic acid Traditional Name: 2-(acetylthio)-3-[4-[1-(6-methoxy-1H-benzimidazol-2-yl)ethoxy]phenyl]propionic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1)C=C(C=C2)OC)OC3=CC=C(C=C3)CC(C(=O)O)SC(=O)C

Isomeric SMILES

CC(C1=NC2=C(N1)C=C(C=C2)OC)OC3=CC=C(C=C3)CC(C(=O)O)SC(=O)C

InChI

InChI=1S/C21H22N2O5S/c1-12(20-22-17-9-8-16(27-3)11-18(17)23-20)28-15-6-4-14(5-7-15)10-19(21(25)26)29-13(2)24/h4-9,11-12,19H,10H2,1-3H3,(H,22,23)(H,25,26)