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3-[2-(5,6-Dimethyl-1H-benzimidazol-2-ylthio)acetamido]benzoic acid
SpectraBase Compound ID 2qXR3ZbEKk0
InChI InChI=1S/C18H17N3O3S/c1-10-6-14-15(7-11(10)2)21-18(20-14)25-9-16(22)19-13-5-3-4-12(8-13)17(23)24/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey XJGXXVJFLORXAM-UHFFFAOYSA-N
Mol Weight 355.41 g/mol
Molecular Formula C18H17N3O3S
Exact Mass 355.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ATFsntGHgrG
Name 3-[2-(5,6-Dimethyl-1H-benzimidazol-2-ylthio)acetamido]benzoic acid
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Formula C18H17N3O3S
InChI InChI=1S/C18H17N3O3S/c1-10-6-14-15(7-11(10)2)21-18(20-14)25-9-16(22)19-13-5-3-4-12(8-13)17(23)24/h3-8H,9H2,1-2H3,(H,19,22)(H,20,21)(H,23,24)
InChIKey XJGXXVJFLORXAM-UHFFFAOYSA-N
Molecular Weight 355.412 g/mol
SMILES [nH]1c(SCC(=O)Nc2cc(C(=O)O)ccc2)nc2cc(c(cc12)C)C
SPLASH splash10-0006-9500000000-92313962d5c5e87bdeb4
Synonyms 3-(([(5,6-Dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl)amino)benzoic acid 3-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoylamino]benzoic acid 3-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]benzoic acid 3-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid 3-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetyl]amino]benzoic acid
Wiley ID 1469059