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Benzeneacetic acid, .alpha.-[[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]amino]-, methyl ester
SpectraBase Compound ID EBtwyOZKbhr
InChI InChI=1S/C18H23N3O3S2/c1-12-14(9-10-25-3)20-18(19-12)26-11-15(22)21-16(17(23)24-2)13-7-5-4-6-8-13/h4-8,16H,9-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKey NPHOFPLLBMKYQL-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 EzFRxOj1oRG
Name Benzeneacetic acid, .alpha.-[[2-[[4-methyl-5-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]acetyl]amino]-, methyl ester
Alternate Name(s) 2-[[2-[[5-methyl-4-[2-(methylthio)ethyl]-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]-2-phenylacetic acid methyl ester Methyl 2-[[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-2-phenylacetate Methyl 2-[[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]acetyl]amino]-2-phenyl-acetate Methyl 2-[2-[[5-methyl-4-(2-methylsulfanylethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]-2-phenyl-ethanoate
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Formula C18H23N3O3S2
InChI InChI=1S/C18H23N3O3S2/c1-12-14(9-10-25-3)20-18(19-12)26-11-15(22)21-16(17(23)24-2)13-7-5-4-6-8-13/h4-8,16H,9-11H2,1-3H3,(H,19,20)(H,21,22)
InChIKey NPHOFPLLBMKYQL-UHFFFAOYSA-N
Molecular Weight 393.520 g/mol
SMILES N(C(CSc1nc(c([nH]1)CCSC)C)=O)C(c1ccccc1)C(OC)=O
SPLASH splash10-0006-4914000000-c5e2f4492c3ff6e39c6f
Source of Spectrum IY-1-4690-0
Wiley ID 1654883