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2-[[(4-acetamidophenyl)sulfonylimino-[(2-ethoxy-2-oxoethyl)thio]methyl]thio]acetic acid ethyl ester
SpectraBase Compound ID 5y8OXKwrpZJ
InChI InChI=1S/C17H22N2O7S3/c1-4-25-15(21)10-27-17(28-11-16(22)26-5-2)19-29(23,24)14-8-6-13(7-9-14)18-12(3)20/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKey MQKZILGVTHZUKP-UHFFFAOYSA-N
Mol Weight 462.55 g/mol
Molecular Formula C17H22N2O7S3
Exact Mass 462.058915 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G3gZvyNx9xe
Name 2-[[(4-acetamidophenyl)sulfonylimino-[(2-ethoxy-2-oxoethyl)thio]methyl]thio]acetic acid ethyl ester
Alternate Name(s) 2-[[N-(4-acetamidophenyl)sulfonyl-C-[(2-ethoxy-2-keto-ethyl)thio]carbonimidoyl]thio]acetic acid ethyl ester Ethyl 2-[N-(4-acetamidophenyl)sulfonyl-C-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-carbonimidoyl]sulfanylethanoate Ethyl 2-[N-(4-acetamidophenyl)sulfonyl-C-(2-ethoxy-2-oxo-ethyl)sulfanyl-carbonimidoyl]sulfanylacetate
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Formula C17H22N2O7S3
InChI InChI=1S/C17H22N2O7S3/c1-4-25-15(21)10-27-17(28-11-16(22)26-5-2)19-29(23,24)14-8-6-13(7-9-14)18-12(3)20/h6-9H,4-5,10-11H2,1-3H3,(H,18,20)
InChIKey MQKZILGVTHZUKP-UHFFFAOYSA-N
Molecular Weight 462.550 g/mol
SMILES N(C(=O)C)c1ccc(S(N=C(SCC(=O)OCC)SCC(=O)OCC)(=O)=O)cc1
SPLASH splash10-0zfr-0900000000-18ea0a72945bbdc47483
Source of Spectrum Y-29-211-2
Wiley ID 1390892