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2-[2-(5,6-Dimethyl-1H-benzimidazol-2-ylthio)-N-methylacetamido]benzoic acid
SpectraBase Compound ID 4A5UGs4D2m2
InChI InChI=1S/C19H19N3O3S/c1-11-8-14-15(9-12(11)2)21-19(20-14)26-10-17(23)22(3)16-7-5-4-6-13(16)18(24)25/h4-9H,10H2,1-3H3,(H,20,21)(H,24,25)
InChIKey GEDBLPARMRNJTO-UHFFFAOYSA-N
Mol Weight 369.44 g/mol
Molecular Formula C19H19N3O3S
Exact Mass 369.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gn47gxzyUgY
Name 2-[2-(5,6-Dimethyl-1H-benzimidazol-2-ylthio)-N-methylacetamido]benzoic acid
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Formula C19H19N3O3S
InChI InChI=1S/C19H19N3O3S/c1-11-8-14-15(9-12(11)2)21-19(20-14)26-10-17(23)22(3)16-7-5-4-6-13(16)18(24)25/h4-9H,10H2,1-3H3,(H,20,21)(H,24,25)
InChIKey GEDBLPARMRNJTO-UHFFFAOYSA-N
Molecular Weight 369.439 g/mol
SMILES [nH]1c(SCC(N(c2c(C(=O)O)cccc2)C)=O)nc2cc(c(cc12)C)C
SPLASH splash10-0uxr-9610000000-eac3f6bae916f10e3531
Synonyms 2-[([(5,6-Dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl)(methyl)amino]benzoic acid 2-[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]ethanoyl-methyl-amino]benzoic acid 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methyl-amino]benzoic acid 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]-1-oxoethyl]-methylamino]benzoic acid 2-[[2-[(5,6-dimethyl-1H-benzimidazol-2-yl)thio]acetyl]-methyl-amino]benzoic acid
Wiley ID 1469058