ethyl 4-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(3-methyl-1H-benzimidazol-3-ium-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H20N3O3S+ MolecularWeight: 370.4454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=[N+](C3=CC=CC=C3N2)C

InChI

InChI=1S/C19H19N3O3S/c1-3-25-18(24)13-8-10-14(11-9-13)20-17(23)12-26-19-21-15-6-4-5-7-16(15)22(19)2/h4-11H,3,12H2,1-2H3,(H,20,23,24)/p+1