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Methyl 2-[4-methoxycarbonyl-5-(1,3-dithiolan-2-yl)-6H-1,3-thiazine-2-yl]-2-methoxy-2-O-methoxycarbonylbenzamidoethanoate
SpectraBase Compound ID ByGOWYJyudO
InChI InChI=1S/C22H24N2O8S3/c1-29-18(27)16-14(19-33-9-10-34-19)12-35-20(23-16)22(31-3,21(28)30-2)11-15(25)32-24-17(26)13-7-5-4-6-8-13/h4-8,19H,9-12H2,1-3H3,(H,24,26)
InChIKey GZULWJFZYABGRB-UHFFFAOYSA-N
Mol Weight 540.62 g/mol
Molecular Formula C22H24N2O8S3
Exact Mass 540.069479 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BGaZyzGb5pU
Name Methyl 2-[4-methoxycarbonyl-5-(1,3-dithiolan-2-yl)-6H-1,3-thiazine-2-yl]-2-methoxy-2-O-methoxycarbonylbenzamidoethanoate
Alternate Name(s) Methyl 2-[3-[(benzoylamino)oxy]-1-methoxy-1-(methoxycarbonyl)-3-oxopropyl]-5-(1,3-dithiolan-2-yl)-6H-1,3-thiazine-4-carboxylate
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Formula C22H24N2O8S3
InChI InChI=1S/C22H24N2O8S3/c1-29-18(27)16-14(19-33-9-10-34-19)12-35-20(23-16)22(31-3,21(28)30-2)11-15(25)32-24-17(26)13-7-5-4-6-8-13/h4-8,19H,9-12H2,1-3H3,(H,24,26)
InChIKey GZULWJFZYABGRB-UHFFFAOYSA-N
Molecular Weight 540.620 g/mol
SMILES N(C(=O)c1ccccc1)OC(CC(C1=NC(=C(C2SCCS2)CS1)C(=O)OC)(C(=O)OC)OC)=O
SPLASH splash10-03di-1900000000-8554b9fba2f85f9cd7e3
Source of Spectrum F-50-12622-13
Wiley ID 790010