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isopropyl 4-{5-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate
SpectraBase Compound ID 3iqofmbWr6H
InChI InChI=1S/C23H24N2O5S/c1-5-24-20(26)18(21(27)25(6-2)23(24)31)13-17-11-12-19(30-17)15-7-9-16(10-8-15)22(28)29-14(3)4/h7-14H,5-6H2,1-4H3
InChIKey IXRPSVQOWGBZPP-UHFFFAOYSA-N
Mol Weight 440.51 g/mol
Molecular Formula C23H24N2O5S
Exact Mass 440.140593 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 211VT5qq3df
Name 4-[5-[(1,3-diethyl-4,6-diketo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoic acid isopropyl ester
Alternate Name(s) 4-[5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]-2-furanyl]benzoic acid propan-2-yl ester isopropyl 4-[5-[(1,3-diethyl-4,6-dioxo-2-thioxo-hexahydropyrimidin-5-ylidene)methyl]-2-furyl]benzoate Isopropyl 4-{5-[(1,3-diethyl-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl}benzoate Propan-2-yl 4-[5-[(1,3-diethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate Propan-2-yl 4-[5-[[1,3-diethyl-4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-5-ylidene]methyl]furan-2-yl]benzoate
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Formula C23H24N2O5S
InChI InChI=1S/C23H24N2O5S/c1-5-24-20(26)18(21(27)25(6-2)23(24)31)13-17-11-12-19(30-17)15-7-9-16(10-8-15)22(28)29-14(3)4/h7-14H,5-6H2,1-4H3
InChIKey IXRPSVQOWGBZPP-UHFFFAOYSA-N
Molecular Weight 440.514 g/mol
SMILES C1(C(N(CC)C(N(C1=O)CC)=S)=O)=Cc1oc(-c2ccc(C(OC(C)C)=O)cc2)cc1
SPLASH splash10-01q3-4893300000-252117e61f2e45171c9e
Wiley ID 1464144