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4-[3-(3-nitrophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester
SpectraBase Compound ID 3IAWfIbP1vv
InChI InChI=1S/C20H17N3O5S2/c1-2-28-19(25)12-6-8-14(9-7-12)21-17(24)16-11-30-18(22(16)20(21)29)13-4-3-5-15(10-13)23(26)27/h3-10,16,18H,2,11H2,1H3
InChIKey IUNJKFPSVOMUDO-UHFFFAOYSA-N
Mol Weight 443.49 g/mol
Molecular Formula C20H17N3O5S2
Exact Mass 443.060963 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1iQscLHYWl
Name 4-[3-(3-nitrophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester
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Formula C20H17N3O5S2
InChI InChI=1S/C20H17N3O5S2/c1-2-28-19(25)12-6-8-14(9-7-12)21-17(24)16-11-30-18(22(16)20(21)29)13-4-3-5-15(10-13)23(26)27/h3-10,16,18H,2,11H2,1H3
InChIKey IUNJKFPSVOMUDO-UHFFFAOYSA-N
Molecular Weight 443.492 g/mol
SMILES CCOC(c1ccc(N2C(N3C(C2=O)CSC3c2cc(N(=O)=O)ccc2)=S)cc1)=O
SPLASH splash10-00ou-6930000000-e101cf10ecdd7e97f1f6
Synonyms 4-[7-keto-3-(3-nitrophenyl)-5-thioxo-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoic acid ethyl ester Ethyl 4-[3-(3-nitrophenyl)-7-oxidanylidene-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]benzoate Ethyl 4-[3-(3-nitrophenyl)-7-oxo-5-sulfanylidene-3,7a-dihydro-1H-imidazo[1,5-c][1,3]thiazol-6-yl]benzoate Ethyl 4-[3-(3-nitrophenyl)-7-oxo-5-thioxo-3,7a-dihydro-1H-imidazo[1,5-c]thiazol-6-yl]benzoate
Wiley ID 1512329