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

Systemtic Name: methyl 2-chloranyl-5-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-chloro-5-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-chloro-5-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-chloro-5-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H17ClN3O3S+ MolecularWeight: 390.86388

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

C[N+]1=C(NC2=CC=CC=C21)SCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C18H16ClN3O3S/c1-22-15-6-4-3-5-14(15)21-18(22)26-10-16(23)20-11-7-8-13(19)12(9-11)17(24)25-2/h3-9H,10H2,1-2H3,(H,20,23)/p+1