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(2-Benzylsulfanyl-4-nitro-benzoylamino)-acetic acid methyl ester
SpectraBase Compound ID 5KMi737BzBJ
InChI InChI=1S/C17H16N2O5S/c1-24-16(20)10-18-17(21)14-8-7-13(19(22)23)9-15(14)25-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,21)
InChIKey ZIJUNERBPHTSFF-UHFFFAOYSA-N
Mol Weight 360.38 g/mol
Molecular Formula C17H16N2O5S
Exact Mass 360.077993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9RsLVJuMJff
Name (2-Benzylsulfanyl-4-nitro-benzoylamino)-acetic acid methyl ester
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Formula C17H16N2O5S
InChI InChI=1S/C17H16N2O5S/c1-24-16(20)10-18-17(21)14-8-7-13(19(22)23)9-15(14)25-11-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H,18,21)
InChIKey ZIJUNERBPHTSFF-UHFFFAOYSA-N
Molecular Weight 360.384 g/mol
SMILES N(C(c1ccc(N(=O)=O)cc1SCc1ccccc1)=O)CC(=O)OC
SPLASH splash10-0006-9330000000-158b74de9bf239a4485c
Synonyms 2-[[2-(benzylthio)-4-nitro-benzoyl]amino]acetic acid methyl ester 2-[[[4-nitro-2-(phenylmethylthio)phenyl]-oxomethyl]amino]acetic acid methyl ester Methyl ([2-(benzylsulfanyl)-4-nitrobenzoyl]amino)acetate Methyl 2-[(2-benzylsulfanyl-4-nitro-benzoyl)amino]acetate Methyl 2-[[4-nitro-2-(phenylmethylsulfanyl)phenyl]carbonylamino]ethanoate
Wiley ID 1460319