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(2Z)-2-[1-(1,3-dioxo-2-isoindolyl)-2-methoxy-2-oxoethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylic acid ethyl ester
SpectraBase Compound ID HqtdE2JXkJo
InChI InChI=1S/C21H20N2O6S3/c1-3-29-19(26)14-13(21-30-8-9-31-21)10-32-16(22-14)15(20(27)28-2)23-17(24)11-6-4-5-7-12(11)18(23)25/h4-7,21-22H,3,8-10H2,1-2H3/b16-15-
InChIKey LAYUYUQRVKRJIR-NXVVXOECSA-N
Mol Weight 492.58 g/mol
Molecular Formula C21H20N2O6S3
Exact Mass 492.04835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FAqy8YOpFgY
Name (2Z)-2-[1-(1,3-dioxo-2-isoindolyl)-2-methoxy-2-oxoethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylic acid ethyl ester
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Formula C21H20N2O6S3
InChI InChI=1S/C21H20N2O6S3/c1-3-29-19(26)14-13(21-30-8-9-31-21)10-32-16(22-14)15(20(27)28-2)23-17(24)11-6-4-5-7-12(11)18(23)25/h4-7,21-22H,3,8-10H2,1-2H3/b16-15-
InChIKey LAYUYUQRVKRJIR-NXVVXOECSA-N
Molecular Weight 492.579 g/mol
SMILES N1\C(SCC(=C1C(=O)OCC)C1SCCS1)=C/(N1C(c2ccccc2C1=O)=O)C(=O)OC
SPLASH splash10-0ziu-2921200000-4127003e9b27f887c3fb
Source of Spectrum F-50-12620-10
Synonyms (2Z)-5-(1,3-dithiolan-2-yl)-2-(2-keto-2-methoxy-1-phthalimido-ethylidene)-3,6-dihydro-1,3-thiazine-4-carboxylic acid ethyl ester Ethyl (2Z)-2-[1-(1,3-dioxoisoindol-2-yl)-2-methoxy-2-oxoethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylate Ethyl (2Z)-2-[1-(1,3-dioxoisoindolin-2-yl)-2-methoxy-2-oxo-ethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylate Ethyl (2Z)-2-[1-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-methoxy-2-oxidanylidene-ethylidene]-5-(1,3-dithiolan-2-yl)-3,6-dihydro-1,3-thiazine-4-carboxylate
Wiley ID 790017