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Benzoic acid, 4,5-dimethoxy-2-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)acetylamino]-, methyl ester
SpectraBase Compound ID 9gcLRDXVES4
InChI InChI=1S/C16H19N3O5S/c1-19-6-5-17-16(19)25-9-14(20)18-11-8-13(23-3)12(22-2)7-10(11)15(21)24-4/h5-8H,9H2,1-4H3,(H,18,20)
InChIKey OKEOXZQGSHMWCP-UHFFFAOYSA-N
Mol Weight 365.4 g/mol
Molecular Formula C16H19N3O5S
Exact Mass 365.104542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9zLmoRn4WUo
Name Benzoic acid, 4,5-dimethoxy-2-[2-(1-methyl-1H-imidazol-2-ylsulfanyl)acetylamino]-, methyl ester
Alternate Name(s) 4,5-Dimethoxy-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester 4,5-Dimethoxy-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Methyl 4,5-dimethoxy-2-({[(1-methyl-1H-imidazol-2-yl)sulfanyl]acetyl}amino)benzoate Methyl 4,5-dimethoxy-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Methyl 4,5-dimethoxy-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate
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Formula C16H19N3O5S
InChI InChI=1S/C16H19N3O5S/c1-19-6-5-17-16(19)25-9-14(20)18-11-8-13(23-3)12(22-2)7-10(11)15(21)24-4/h5-8H,9H2,1-4H3,(H,18,20)
InChIKey OKEOXZQGSHMWCP-UHFFFAOYSA-N
Molecular Weight 365.404 g/mol
SMILES N(C(CSc1ncc[n]1C)=O)c1c(cc(c(c1)OC)OC)C(OC)=O
SPLASH splash10-0kdi-3900000000-f1e09b798a57f37106f8
Wiley ID 1445866