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Dimethyl 1,4-dihydro-2,6-dimethyl-4-(4'-oxo-4H-benzothieno[3,2-b]thiopyran-2'-yl)pyridine-3,5-dicarboxylate
SpectraBase Compound ID 2sSPoweAtWq
InChI InChI=1S/C22H19NO5S2/c1-10-16(21(25)27-3)18(17(11(2)23-10)22(26)28-4)15-9-13(24)20-19(30-15)12-7-5-6-8-14(12)29-20/h5-9,18,23H,1-4H3
InChIKey SAQYOVNEHMVNPP-UHFFFAOYSA-N
Mol Weight 441.52 g/mol
Molecular Formula C22H19NO5S2
Exact Mass 441.070465 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Cb9ItK8YZC
Name Dimethyl 1,4-dihydro-2,6-dimethyl-4-(4'-oxo-4H-benzothieno[3,2-b]thiopyran-2'-yl)pyridine-3,5-dicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H19NO5S2
InChI InChI=1S/C22H19NO5S2/c1-10-16(21(25)27-3)18(17(11(2)23-10)22(26)28-4)15-9-13(24)20-19(30-15)12-7-5-6-8-14(12)29-20/h5-9,18,23H,1-4H3
InChIKey SAQYOVNEHMVNPP-UHFFFAOYSA-N
Molecular Weight 441.516 g/mol
SMILES N1C(=C(C(C(=C1C)C(=O)OC)C=1Sc2c(sc3c2cccc3)C(=O)C1)C(=O)OC)C
SPLASH splash10-00di-0090000000-461722c4817f0b48344d
Source of Spectrum D8-323-856-8
Wiley ID 1513770