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(2Z)-2-(2-tert-butoxy-2-keto-1-phthalimido-ethylidene)-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylic acid tert-butyl ester
SpectraBase Compound ID 1SbGm0mU1GR
InChI InChI=1S/C26H30N2O6S3/c1-25(2,3)33-22(31)17-16(24-35-11-12-36-24)13-37-19(27-17)18(23(32)34-26(4,5)6)28-20(29)14-9-7-8-10-15(14)21(28)30/h7-10,24,27H,11-13H2,1-6H3/b19-18-
InChIKey MPCGMMKHMGOCNW-HNENSFHCSA-N
Mol Weight 562.71 g/mol
Molecular Formula C26H30N2O6S3
Exact Mass 562.1266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9j9QzIfvqUp
Name (2Z)-2-(2-tert-butoxy-2-keto-1-phthalimido-ethylidene)-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylic acid tert-butyl ester
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Formula C26H30N2O6S3
InChI InChI=1S/C26H30N2O6S3/c1-25(2,3)33-22(31)17-16(24-35-11-12-36-24)13-37-19(27-17)18(23(32)34-26(4,5)6)28-20(29)14-9-7-8-10-15(14)21(28)30/h7-10,24,27H,11-13H2,1-6H3/b19-18-
InChIKey MPCGMMKHMGOCNW-HNENSFHCSA-N
Molecular Weight 562.714 g/mol
SMILES N1\C(SCC(=C1C(OC(C)(C)C)=O)C1SCCS1)=C/(N1C(c2ccccc2C1=O)=O)C(OC(C)(C)C)=O
SPLASH splash10-0fr6-6924300000-8175783659b30597c145
Source of Spectrum F-50-12621-10
Synonyms (2Z)-2-[1-(1,3-dioxo-2-isoindolyl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylic acid tert-butyl ester tert-Butyl (2Z)-2-[1-(1,3-dioxoisoindol-2-yl)-2-[(2-methylpropan-2-yl)oxy]-2-oxoethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylate tert-Butyl (2Z)-2-[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylate tert-Butyl (2Z)-2-[2-tert-butoxy-1-(1,3-dioxoisoindolin-2-yl)-2-oxo-ethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylate
Wiley ID 790015