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Ethyl (5-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}-1,3,4-thiadiazol-2-yl)acetate
SpectraBase Compound ID H4Wrj0X6DX5
InChI InChI=1S/C17H18N4O3S3/c1-3-11(25-17-18-10-7-5-6-8-12(10)26-17)15(23)19-16-21-20-13(27-16)9-14(22)24-4-2/h5-8,11H,3-4,9H2,1-2H3,(H,19,21,23)
InChIKey YDGYOLCXHCJWKB-UHFFFAOYSA-N
Mol Weight 422.54 g/mol
Molecular Formula C17H18N4O3S3
Exact Mass 422.054104 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Vpx5E9DOoo
Name Ethyl (5-{[2-(1,3-benzothiazol-2-ylsulfanyl)butanoyl]amino}-1,3,4-thiadiazol-2-yl)acetate
Alternate Name(s) 2-[5-[2-(1,3-benzothiazol-2-ylthio)butanoylamino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester 2-[5-[[2-(1,3-benzothiazol-2-ylthio)-1-oxobutyl]amino]-1,3,4-thiadiazol-2-yl]acetic acid ethyl ester Ethyl 2-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-1,3,4-thiadiazol-2-yl]acetate Ethyl 2-[5-[2-(1,3-benzothiazol-2-ylsulfanyl)butanoylamino]-1,3,4-thiadiazol-2-yl]ethanoate
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Formula C17H18N4O3S3
InChI InChI=1S/C17H18N4O3S3/c1-3-11(25-17-18-10-7-5-6-8-12(10)26-17)15(23)19-16-21-20-13(27-16)9-14(22)24-4-2/h5-8,11H,3-4,9H2,1-2H3,(H,19,21,23)
InChIKey YDGYOLCXHCJWKB-UHFFFAOYSA-N
Molecular Weight 422.536 g/mol
SMILES N(c1sc(CC(=O)OCC)nn1)C(C(Sc1nc2ccccc2s1)CC)=O
SPLASH splash10-0aor-5950000000-603f15adc24dd5002eb0
Wiley ID 1445706