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2R-(S-LACTATE)-(1-ETHOXYCARBONYLETHYL)-2-[N,N-DIMETHYLAMINOETHYLENE)-THIOCARBAMOYL]-2-PHTHALIMIDO-PROPANOATE
SpectraBase Compound ID 9GPN1xw84EL
InChI InChI=1S/C20H23N3O6S/c1-6-28-17(26)12(2)29-19(27)20(3,18(30)21-11-22(4)5)23-15(24)13-9-7-8-10-14(13)16(23)25/h7-12H,6H2,1-5H3/b21-11+/t12?,20-/m0/s1
InChIKey PCPJMCDNKWCVBT-RUAOMABVSA-N
Mol Weight 433.48 g/mol
Molecular Formula C20H23N3O6S
Exact Mass 433.130757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7HbpjPnHT1e
Name (R)-1'-(Ethoxycarbonyl)ethyl [N,N-(dimethylamino)methylene]thiocarbamoyl-2-phthalimidopropanoate
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Formula C20H23N3O6S
InChI InChI=1S/C20H23N3O6S/c1-6-28-17(26)12(2)29-19(27)20(3,18(30)21-11-22(4)5)23-15(24)13-9-7-8-10-14(13)16(23)25/h7-12H,6H2,1-5H3/b21-11+/t12?,20-/m0/s1
InChIKey PCPJMCDNKWCVBT-RUAOMABVSA-N
Molecular Weight 433.479 g/mol
SMILES [C@](N1C(c2ccccc2C1=O)=O)(C(OC(C(=O)OCC)C)=O)(C(\N=C\N(C)C)=S)C
SPLASH splash10-014i-1900000000-294a425add4632b9d829
Source of Spectrum AC-1991-768-3
Synonyms 1'-(Ethoxycarbonyl)ethyl[N,N-(dimethylamino)methylene]thiocarbamoyl-2-phthalimidopropanoate 2-Ethoxy-1-methyl-2-oxoethyl (2R)-3-{[(E)-(dimethylamino)methylidene]amino}-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-methyl-3-thioxopropanoate
Wiley ID 747869