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

Systemtic Name: methyl 2-chloranyl-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-chloro-benzoate CAS Name: 2-chloro-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-chlorobenzoate Traditional Name: 5-[[2-[(3-benzyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]-2-chloro-benzoic acid methyl ester Formula: C24H21ClN3O3S+ MolecularWeight: 466.95984

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClN3O3S/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