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Benzoic acid, 4-[[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]amino]-, ethyl ester
SpectraBase Compound ID tnmDelfN6I
InChI InChI=1S/C18H23N3O3S2/c1-4-24-17(23)13-5-7-14(8-6-13)20-16(22)11-26-18-19-12(2)15(21-18)9-10-25-3/h5-8H,4,9-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKey HUGFXJWWRMDGHM-UHFFFAOYSA-N
Mol Weight 393.52 g/mol
Molecular Formula C18H23N3O3S2
Exact Mass 393.118084 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B16Tp3ipIuW
Name Benzoic acid, 4-[[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]amino]-, ethyl ester
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Formula C18H23N3O3S2
InChI InChI=1S/C18H23N3O3S2/c1-4-24-17(23)13-5-7-14(8-6-13)20-16(22)11-26-18-19-12(2)15(21-18)9-10-25-3/h5-8H,4,9-11H2,1-3H3,(H,19,21)(H,20,22)
InChIKey HUGFXJWWRMDGHM-UHFFFAOYSA-N
Molecular Weight 393.520 g/mol
SMILES N(C(CSc1nc(c([nH]1)CCSC)C)=O)c1ccc(cc1)C(OCC)=O
SPLASH splash10-0006-3912000000-a8b5a9c9d99d9e696e61
Source of Spectrum IY-1-4680-9
Synonyms 4-[[2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester Ethyl 4-[[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]benzoate Ethyl 4-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzoate
Wiley ID 1654792