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benzoic acid, 4-[[[(2E)-3-(1,3-benzodioxol-5-ylmethyl)tetrahydro-4-oxo-2-(phenylimino)-2H-1,3-thiazin-6-yl]carbonyl]amino]-, methyl ester
SpectraBase Compound ID HFXU665Qhr5
InChI InChI=1S/C27H23N3O6S/c1-34-26(33)18-8-10-20(11-9-18)28-25(32)23-14-24(31)30(27(37-23)29-19-5-3-2-4-6-19)15-17-7-12-21-22(13-17)36-16-35-21/h2-13,23H,14-16H2,1H3,(H,28,32)/b29-27+
InChIKey SOUFJIBGWQLMNJ-ORIPQNMZSA-N
Mol Weight 517.56 g/mol
Molecular Formula C27H23N3O6S
Exact Mass 517.130757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FEQ3m4uU1qn
Name 4-[(3-benzo[1,3]dioxol-5-ylmethyl-4-oxo-2-phenylimino-[1,3]thiazinane-6-carbonyl)-amino]-benzoic acid methyl ester
Alternate Name(s) Methyl 4-({[(2E)-3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenylimino)tetrahydro-2H-1,3-thiazin-6-yl]carbonyl}amino)benzoate Methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenylimino)-1,3-thiazinan-6-yl]carbonyl}amino)benzoate
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Formula C27H23N3O6S
InChI InChI=1S/C27H23N3O6S/c1-34-26(33)18-8-10-20(11-9-18)28-25(32)23-14-24(31)30(27(37-23)29-19-5-3-2-4-6-19)15-17-7-12-21-22(13-17)36-16-35-21/h2-13,23H,14-16H2,1H3,(H,28,32)/b29-27+
InChIKey SOUFJIBGWQLMNJ-ORIPQNMZSA-N
Molecular Weight 517.556 g/mol
SMILES N(C(C1CC(N(\C(S1)=N/c1ccccc1)Cc1cc2OCOc2cc1)=O)=O)c1ccc(C(=O)OC)cc1
SPLASH splash10-000i-5910000000-0e9c050bcd14bd35fa55
Wiley ID 1461476