methyl 2-fluoranyl-5-[2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-fluoranyl-5-[2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 5-[[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]-2-fluoro-benzoate CAS Name: 2-fluoro-5-[[1-oxo-2-[[3-(phenylmethyl)-1H-benzimidazol-3-ium-2-yl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 5-[[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]-2-fluorobenzoate Traditional Name: 5-[[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]-2-fluoro-benzoic acid methyl ester Formula: C24H21FN3O3S+ MolecularWeight: 450.505243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)F

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)CC4=CC=CC=C4)F

InChI

InChI=1S/C24H20FN3O3S/c1-31-23(30)18-13-17(11-12-19(18)25)26-22(29)15-32-24-27-20-9-5-6-10-21(20)28(24)14-16-7-3-2-4-8-16/h2-13H,14-15H2,1H3,(H,26,29)/p+1