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Dimethyl 2,6-dimethyl-4-(4',5'-dihydro-4'-oxo-thiopyrano[3,2-b]indol-3'-yl)pyridine-3,5-dicarboxylate
SpectraBase Compound ID F0lr3j9fVED
InChI InChI=1S/C22H18N2O5S/c1-10-15(21(26)28-3)17(16(11(2)23-10)22(27)29-4)13-9-30-20-12-7-5-6-8-14(12)24-18(20)19(13)25/h5-9,24H,1-4H3
InChIKey GSNHGNFCCRYRAM-UHFFFAOYSA-N
Mol Weight 422.46 g/mol
Molecular Formula C22H18N2O5S
Exact Mass 422.093643 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AharLU6FbpQ
Name Dimethyl 2,6-dimethyl-4-(4',5'-dihydro-4'-oxo-thiopyrano[3,2-b]indol-3'-yl)pyridine-3,5-dicarboxylate
Alternate Name(s) dimethyl 2,6-dimethyl-4-(4-oxo-4,5-dihydrothiino[3,2-b]indol-3-yl)-3,5-pyridinedicarboxylate
Comments Less than 3 mono-isotopic peaks
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Formula C22H18N2O5S
InChI InChI=1S/C22H18N2O5S/c1-10-15(21(26)28-3)17(16(11(2)23-10)22(27)29-4)13-9-30-20-12-7-5-6-8-14(12)24-18(20)19(13)25/h5-9,24H,1-4H3
InChIKey GSNHGNFCCRYRAM-UHFFFAOYSA-N
Molecular Weight 422.455 g/mol
SMILES [nH]1c2ccccc2c2c1C(C(=CS2)c1c(c(C)nc(c1C(=O)OC)C)C(=O)OC)=O
SPLASH splash10-03di-0009100000-4a459b69fd2da439324c
Source of Spectrum D8-323-855-4
Wiley ID 1513779