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[(Ethoxycarbonyl)ethyl] 2-[5'-(methoxycarbonyl)-6H-1',3'-thiazin-2'-yl]-2-[2"-[(methoxycarbonyl)benzamido]propanoate
SpectraBase Compound ID DDPLsM2osIJ
InChI InChI=1S/C23H26N2O9S/c1-5-33-17(26)10-11-34-22(30)23(2,21-24-12-14(13-35-21)19(28)31-3)25-18(27)15-8-6-7-9-16(15)20(29)32-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,25,27)/t23-/m1/s1
InChIKey AAZRXMHQHPYWIJ-HSZRJFAPSA-N
Mol Weight 506.53 g/mol
Molecular Formula C23H26N2O9S
Exact Mass 506.135902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTmJ57Pq2Qv
Name [(Ethoxycarbonyl)ethyl] 2-[5'-(methoxycarbonyl)-6H-1',3'-thiazin-2'-yl]-2-[2"-[(methoxycarbonyl)benzamido]propanoate
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Formula C23H26N2O9S
InChI InChI=1S/C23H26N2O9S/c1-5-33-17(26)10-11-34-22(30)23(2,21-24-12-14(13-35-21)19(28)31-3)25-18(27)15-8-6-7-9-16(15)20(29)32-4/h6-9,12H,5,10-11,13H2,1-4H3,(H,25,27)/t23-/m1/s1
InChIKey AAZRXMHQHPYWIJ-HSZRJFAPSA-N
Molecular Weight 506.526 g/mol
SMILES N([C@](C1=NC=C(C(=O)OC)CS1)(C(=O)OCCC(=O)OCC)C)C(c1c(C(=O)OC)cccc1)=O
SPLASH splash10-01t9-9803000000-7e2f25f956264699b9e7
Source of Spectrum AC-1994-820-7
Synonyms [(Ethoxycarbonyl)ethyl]2-[5'-(methoxycarbonyl)-6H-1',3'-thiazin-2'-yl]-2-[2''-[(methoxycarbonyl)benzamido]propanoate
Wiley ID 811783