2-[1-(3-methoxypropyl)benzimidazol-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-(3-methoxypropyl)benzimidazol-2-yl]sulfanylethanoic acid Openeye Name: 2-[1-(3-methoxypropyl)benzimidazol-2-yl]sulfanylacetic acid CAS Name: 2-[[1-(3-methoxypropyl)-2-benzimidazolyl]thio]acetic acid IUPAC Name: 2-[1-(3-methoxypropyl)benzimidazol-2-yl]sulfanylacetic acid Traditional Name: 2-[[1-(3-methoxypropyl)benzimidazol-2-yl]thio]acetic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

COCCCN1C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C13H16N2O3S/c1-18-8-4-7-15-11-6-3-2-5-10(11)14-13(15)19-9-12(16)17/h2-3,5-6H,4,7-9H2,1H3,(H,16,17)