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4-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzoic acid butyl ester
SpectraBase Compound ID lK6z2DEQWa
InChI InChI=1S/C21H24N2O4S/c1-2-3-13-27-21(26)16-9-11-18(12-10-16)23-20(25)15-28-14-19(24)22-17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H,22,24)(H,23,25)
InChIKey HVTXTIHYIVCDIR-UHFFFAOYSA-N
Mol Weight 400.49 g/mol
Molecular Formula C21H24N2O4S
Exact Mass 400.145678 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8e0i0PAFm0m
Name 4-[[2-[(2-anilino-2-keto-ethyl)thio]acetyl]amino]benzoic acid butyl ester
Alternate Name(s) 4-[[2-[(2-anilino-2-oxoethyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester Butyl 4-({[(2-anilino-2-oxoethyl)sulfanyl]acetyl}amino)benzoate Butyl 4-[2-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanylethanoylamino]benzoate Butyl 4-[[2-(2-anilino-2-oxo-ethyl)sulfanylacetyl]amino]benzoate
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Formula C21H24N2O4S
InChI InChI=1S/C21H24N2O4S/c1-2-3-13-27-21(26)16-9-11-18(12-10-16)23-20(25)15-28-14-19(24)22-17-7-5-4-6-8-17/h4-12H,2-3,13-15H2,1H3,(H,22,24)(H,23,25)
InChIKey HVTXTIHYIVCDIR-UHFFFAOYSA-N
Molecular Weight 400.493 g/mol
SMILES N(C(CSCC(Nc1ccccc1)=O)=O)c1ccc(C(=O)OCCCC)cc1
SPLASH splash10-052u-3920000000-ed2fd14f0525d8557659
Wiley ID 1462290