3-(2-octylsulfanylbenzimidazol-1-yl)propanoic acid

Systemtic Name: 3-(2-octylsulfanylbenzimidazol-1-yl)propanoic acid Openeye Name: 3-(2-octylsulfanylbenzimidazol-1-yl)propanoic acid CAS Name: 3-[2-(octylthio)-1-benzimidazolyl]propanoic acid IUPAC Name: 3-(2-octylsulfanylbenzimidazol-1-yl)propanoic acid Traditional Name: 3-[2-(octylthio)benzimidazol-1-yl]propionic acid Formula: C18H26N2O2S MolecularWeight: 334.47624

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=NC2=CC=CC=C2N1CCC(=O)O

Isomeric SMILES

CCCCCCCCSC1=NC2=CC=CC=C2N1CCC(=O)O

InChI

InChI=1S/C18H26N2O2S/c1-2-3-4-5-6-9-14-23-18-19-15-10-7-8-11-16(15)20(18)13-12-17(21)22/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,21,22)