dimethyl 2-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C20H20N3O5S+ MolecularWeight: 414.4549

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5S/c1-23-16-7-5-4-6-14(16)22-20(23)29-11-17(24)21-15-10-12(18(25)27-2)8-9-13(15)19(26)28-3/h4-10H,11H2,1-3H3,(H,21,24,26)/p+1