methyl 3-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]benzoate CAS Name: 3-[[2-(1H-benzimidazol-3-ium-2-ylthio)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(1H-benzimidazol-3-ium-2-ylsulfanyl)acetyl]amino]benzoate Traditional Name: 3-[[2-(1H-benzimidazol-3-ium-2-ylthio)acetyl]amino]benzoic acid methyl ester Formula: C17H16N3O3S+ MolecularWeight: 342.39224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=[NH+]C3=CC=CC=C3N2

InChI

InChI=1S/C17H15N3O3S/c1-23-16(22)11-5-4-6-12(9-11)18-15(21)10-24-17-19-13-7-2-3-8-14(13)20-17/h2-9H,10H2,1H3,(H,18,21)(H,19,20)/p+1