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Propanoic acid, 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-[(phenylmethyl)thio]-, methyl ester
SpectraBase Compound ID BosopLXDDG6
InChI InChI=1S/C20H20N2O3S3/c1-25-19(24)16(12-26-11-14-7-3-2-4-8-14)21-18(23)13-27-20-22-15-9-5-6-10-17(15)28-20/h2-10,16H,11-13H2,1H3,(H,21,23)
InChIKey OCAIADAWHUKGSC-UHFFFAOYSA-N
Mol Weight 432.57 g/mol
Molecular Formula C20H20N2O3S3
Exact Mass 432.063606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CBduihSSyQb
Name Propanoic acid, 2-[[2-(1,3-benzothiazol-2-ylthio)acetyl]amino]-3-[(phenylmethyl)thio]-, methyl ester
Alternate Name(s) 2-[[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]amino]-3-(phenylmethylthio)propanoic acid methyl ester Methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-benzylsulfanylpropanoate Methyl 2-[[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]amino]-3-benzylsulfanyl-propanoate Methyl 2-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoylamino]-3-(phenylmethylsulfanyl)propanoate
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Formula C20H20N2O3S3
InChI InChI=1S/C20H20N2O3S3/c1-25-19(24)16(12-26-11-14-7-3-2-4-8-14)21-18(23)13-27-20-22-15-9-5-6-10-17(15)28-20/h2-10,16H,11-13H2,1H3,(H,21,23)
InChIKey OCAIADAWHUKGSC-UHFFFAOYSA-N
Molecular Weight 432.571 g/mol
SMILES N(C(CSc1nc2c(s1)cccc2)=O)C(CSCc1ccccc1)C(OC)=O
SPLASH splash10-0006-9510000000-b9c317beb97e06c02484
Source of Spectrum IY-1-4490-7
Wiley ID 1652890