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4-[3-(4-fluorophenyl)-7-keto-5-thioxo-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester
SpectraBase Compound ID BVlyfkRFiC9
InChI InChI=1S/C20H17FN2O3S2/c1-2-26-19(25)13-5-9-15(10-6-13)22-17(24)16-11-28-18(23(16)20(22)27)12-3-7-14(21)8-4-12/h3-10,16,18H,2,11H2,1H3
InChIKey ALDIUEDGGIFVCY-UHFFFAOYSA-N
Mol Weight 416.49 g/mol
Molecular Formula C20H17FN2O3S2
Exact Mass 416.066463 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3DNV6VfdE7
Name 4-[3-(4-fluorophenyl)-7-keto-5-thioxo-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester
Alternate Name(s) 4-[3-(4-fluorophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester Ethyl 4-[3-(4-fluorophenyl)-7-oxidanylidene-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]benzoate Ethyl 4-[3-(4-fluorophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]benzoate Ethyl 4-[3-(4-fluorophenyl)-7-oxo-5-thioxo-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoate
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Formula C20H17FN2O3S2
InChI InChI=1S/C20H17FN2O3S2/c1-2-26-19(25)13-5-9-15(10-6-13)22-17(24)16-11-28-18(23(16)20(22)27)12-3-7-14(21)8-4-12/h3-10,16,18H,2,11H2,1H3
InChIKey ALDIUEDGGIFVCY-UHFFFAOYSA-N
Molecular Weight 416.485 g/mol
SMILES CCOC(c1ccc(N2C(N3C(C2=O)CSC3c2ccc(cc2)F)=S)cc1)=O
SPLASH splash10-066r-4901300000-c16d9d5f9a4d9fd2e41c
Wiley ID 1442541