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3-[2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester
SpectraBase Compound ID HSH37Js92Gr
InChI InChI=1S/C20H21N3O3S/c1-13(2)26-19(25)14-7-6-8-15(11-14)21-18(24)12-27-20-22-16-9-4-5-10-17(16)23(20)3/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKey NQYCSECXBAXJCQ-UHFFFAOYSA-N
Mol Weight 383.47 g/mol
Molecular Formula C20H21N3O3S
Exact Mass 383.130363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2sxQ3pCxZg
Name 3-[2-(1-Methyl-1H-benzoimidazol-2-ylsulfanyl)-acetylamino]-benzoic acid isopropyl ester
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Formula C20H21N3O3S
InChI InChI=1S/C20H21N3O3S/c1-13(2)26-19(25)14-7-6-8-15(11-14)21-18(24)12-27-20-22-16-9-4-5-10-17(16)23(20)3/h4-11,13H,12H2,1-3H3,(H,21,24)
InChIKey NQYCSECXBAXJCQ-UHFFFAOYSA-N
Molecular Weight 383.466 g/mol
SMILES N(C(CSc1nc2ccccc2[n]1C)=O)c1cc(C(OC(C)C)=O)ccc1
SPLASH splash10-004i-1910000000-fd618983cf9354dd8f1e
Synonyms 3-[[2-[(1-methyl-2-benzimidazolyl)thio]-1-oxoethyl]amino]benzoic acid propan-2-yl ester 3-[[2-[(1-methylbenzimidazol-2-yl)thio]acetyl]amino]benzoic acid isopropyl ester Isopropyl 3-(([(1-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl)amino)benzoate isopropyl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate Propan-2-yl 3-[2-(1-methylbenzimidazol-2-yl)sulfanylethanoylamino]benzoate Propan-2-yl 3-[[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]amino]benzoate
Wiley ID 1455134