(4-ethanoylphenyl) 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylethanoate

Systemtic Name: (4-ethanoylphenyl) 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylethanoate Openeye Name: (4-acetylphenyl) 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetate CAS Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]acetic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 2-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]sulfanylacetate Traditional Name: 2-[[(1R)-1-(1H-benzimidazol-2-yl)ethyl]thio]acetic acid (4-acetylphenyl) ester Formula: C19H18N2O3S MolecularWeight: 354.42282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)SCC(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C1=NC2=CC=CC=C2N1)SCC(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C19H18N2O3S/c1-12(22)14-7-9-15(10-8-14)24-18(23)11-25-13(2)19-20-16-5-3-4-6-17(16)21-19/h3-10,13H,11H2,1-2H3,(H,20,21)/t13-/m1/s1