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4-[2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid butyl ester
SpectraBase Compound ID 3AkHoqWAfQo
InChI InChI=1S/C15H18N4O3S2/c1-2-3-8-22-13(21)10-4-6-11(7-5-10)17-12(20)9-23-15-19-18-14(16)24-15/h4-7H,2-3,8-9H2,1H3,(H2,16,18)(H,17,20)
InChIKey FZEIKQZETAMBKM-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C15H18N4O3S2
Exact Mass 366.082033 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HWBsyDMhNvr
Name 4-[2-(5-Amino-[1,3,4]thiadiazol-2-ylsulfanyl)-acetylamino]-benzoic acid butyl ester
Alternate Name(s) 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid butyl ester 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)thio]acetyl]amino]benzoic acid butyl ester Butyl 4-(([(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl)amino)benzoate Butyl 4-[2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethanoylamino]benzoate Butyl 4-[[2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzoate
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Formula C15H18N4O3S2
InChI InChI=1S/C15H18N4O3S2/c1-2-3-8-22-13(21)10-4-6-11(7-5-10)17-12(20)9-23-15-19-18-14(16)24-15/h4-7H,2-3,8-9H2,1H3,(H2,16,18)(H,17,20)
InChIKey FZEIKQZETAMBKM-UHFFFAOYSA-N
Molecular Weight 366.454 g/mol
SMILES N(C(CSc1sc(nn1)N)=O)c1ccc(C(=O)OCCCC)cc1
SPLASH splash10-00di-5900000000-0cfff849801865756038
Wiley ID 1459898