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Ethyl 2-[(4'-oxo-5',6',7',8'-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2'-yl)thio]-3-oxobutanoate
SpectraBase Compound ID 47FM7YB22Ru
InChI InChI=1S/C16H18N2O4S2/c1-2-22-12(20)7-9(19)8-23-16-17-14(21)13-10-5-3-4-6-11(10)24-15(13)18-16/h2-8H2,1H3,(H,17,18,21)
InChIKey ITYGCMPXRSNDRK-UHFFFAOYSA-N
Mol Weight 366.45 g/mol
Molecular Formula C16H18N2O4S2
Exact Mass 366.070799 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2EJCgedJ4QS
Name Ethyl 2-[(4'-oxo-5',6',7',8'-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-2'-yl)thio]-3-oxobutanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H18N2O4S2
InChI InChI=1S/C16H18N2O4S2/c1-2-22-12(20)7-9(19)8-23-16-17-14(21)13-10-5-3-4-6-11(10)24-15(13)18-16/h2-8H2,1H3,(H,17,18,21)
InChIKey ITYGCMPXRSNDRK-UHFFFAOYSA-N
Molecular Weight 366.450 g/mol
SMILES N1C(c2c(N=C1SCC(CC(=O)OCC)=O)sc1CCCCc21)=O
SPLASH splash10-00di-0139000000-4a9c3ca98e956a2aea37
Source of Spectrum AH-140-219-11b
Wiley ID 1696031