methyl 2-[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 2-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 2-[[2-[(6-methoxy-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C18H18N3O4S+ MolecularWeight: 372.41822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)[NH+]=C(N2)SCC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C18H17N3O4S/c1-24-11-7-8-14-15(9-11)21-18(20-14)26-10-16(22)19-13-6-4-3-5-12(13)17(23)25-2/h3-9H,10H2,1-2H3,(H,19,22)(H,20,21)/p+1