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5-(5-[4-(2-Methoxycarbonyl-ethyl)-3a,6a-dimethyl-2-oxo-3,3a,4,6a-tetrahydro-2H-thieno[2,3-b]pyrrol-5-ylmethylene])-4,4-dimethyl-2-thioxo-3-(2-methoxycarbonylethyl)pyrrol
SpectraBase Compound ID Bwtq7BlGPih
InChI InChI=1S/C23H32N2O5S2/c1-21(2)14(8-10-18(27)30-6)20(31)24-16(21)11-15-13(7-9-17(26)29-5)22(3)12-19(28)32-23(22,4)25-15/h11,13-14H,7-10,12H2,1-6H3,(H,24,31)/b16-11-
InChIKey MUORLBVTZOQDTE-WJDWOHSUSA-N
Mol Weight 480.6 g/mol
Molecular Formula C23H32N2O5S2
Exact Mass 480.175264 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2kGxzWUeEQT
Name 5-(5-[4-(2-Methoxycarbonyl-ethyl)-3a,6a-dimethyl-2-oxo-3,3a,4,6a-tetrahydro-2H-thieno[2,3-b]pyrrol-5-ylmethylene])-4,4-dimethyl-2-thioxo-3-(2-methoxycarbonylethyl)pyrrol
Alternate Name(s) Methyl 3-((5Z)-5-([4-(3-methoxy-3-oxopropyl)-3a,6a-dimethyl-2-oxo-3,3a,4,6a-tetrahydro-2H-thieno[2,3-b]pyrrol-5-yl]methylene)-4,4-dimethyl-2-thioxopyrrolidinyl)propanoate
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H32N2O5S2
InChI InChI=1S/C23H32N2O5S2/c1-21(2)14(8-10-18(27)30-6)20(31)24-16(21)11-15-13(7-9-17(26)29-5)22(3)12-19(28)32-23(22,4)25-15/h11,13-14H,7-10,12H2,1-6H3,(H,24,31)/b16-11-
InChIKey MUORLBVTZOQDTE-WJDWOHSUSA-N
Molecular Weight 480.638 g/mol
SMILES N1\C(C(C(C1=S)CCC(=O)OC)(C)C)=C/C1=NC2(SC(=O)CC2(C1CCC(OC)=O)C)C
SPLASH splash10-001i-2647900000-bf6dcaf7398137dca1d7
Wiley ID 1485340