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benzoic acid, 4-[[[(2-methyl-8-quinolinyl)thio]acetyl]amino]-, butylester
SpectraBase Compound ID CEQbzGlIXvr
InChI InChI=1S/C23H24N2O3S/c1-3-4-14-28-23(27)18-10-12-19(13-11-18)25-21(26)15-29-20-7-5-6-17-9-8-16(2)24-22(17)20/h5-13H,3-4,14-15H2,1-2H3,(H,25,26)
InChIKey OEFJQMKMDYYJPU-UHFFFAOYSA-N
Mol Weight 408.52 g/mol
Molecular Formula C23H24N2O3S
Exact Mass 408.150764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EBLhDDbeKZl
Name 4-[[2-[(2-methyl-8-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid butyl ester
Alternate Name(s) 4-[[2-[(2-methyl-8-quinolyl)thio]acetyl]amino]benzoic acid butyl ester Butyl 4-[2-(2-methylquinolin-8-yl)sulfanylethanoylamino]benzoate Butyl 4-[[2-(2-methylquinolin-8-yl)sulfanylacetyl]amino]benzoate Butyl 4-[[2-[(2-methyl-8-quinolyl)sulfanyl]acetyl]amino]benzoate
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Formula C23H24N2O3S
InChI InChI=1S/C23H24N2O3S/c1-3-4-14-28-23(27)18-10-12-19(13-11-18)25-21(26)15-29-20-7-5-6-17-9-8-16(2)24-22(17)20/h5-13H,3-4,14-15H2,1-2H3,(H,25,26)
InChIKey OEFJQMKMDYYJPU-UHFFFAOYSA-N
Molecular Weight 408.516 g/mol
SMILES N(C(CSc1c2nc(ccc2ccc1)C)=O)c1ccc(C(=O)OCCCC)cc1
SPLASH splash10-000i-1910000000-37b65c1943982aee516b
Wiley ID 1461046