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3-(4,5-Dihydro-5-methoxythiazole-2-yl)thiomethyl-2-(4-methoxybenzyloxycarbonyl)-7-amino-8-oxo-1-aza-5-thiabicyclo[4.2.0]oct-2-ene

View entire compound with spectra: 1 MS (GC)

3-(4,5-Dihydro-5-methoxythiazole-2-yl)thiomethyl-2-(4-methoxybenzyloxycarbonyl)-7-amino-8-oxo-1-aza-5-thiabicyclo[4.2.0]oct-2-ene
SpectraBase Compound ID GDtdaOYvVku
InChI InChI=1S/C20H23N3O5S3/c1-26-13-5-3-11(4-6-13)8-28-19(25)16-12(9-29-18-15(21)17(24)23(16)18)10-30-20-22-7-14(27-2)31-20/h3-6,14-15,18H,7-10,21H2,1-2H3
InChIKey YBFGBDNOLRGZBF-UHFFFAOYSA-N
Mol Weight 481.6 g/mol
Molecular Formula C20H23N3O5S3
Exact Mass 481.079984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6NicTkcb99
Name 3-(4,5-Dihydro-5-methoxythiazole-2-yl)thiomethyl-2-(4-methoxybenzyloxycarbonyl)-7-amino-8-oxo-1-aza-5-thiabicyclo[4.2.0]oct-2-ene
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Formula C20H23N3O5S3
InChI InChI=1S/C20H23N3O5S3/c1-26-13-5-3-11(4-6-13)8-28-19(25)16-12(9-29-18-15(21)17(24)23(16)18)10-30-20-22-7-14(27-2)31-20/h3-6,14-15,18H,7-10,21H2,1-2H3
InChIKey YBFGBDNOLRGZBF-UHFFFAOYSA-N
Molecular Weight 481.600 g/mol
SMILES NC1C2N(C(=C(CS2)CSC=2SC(CN2)OC)C(=O)OCc2ccc(cc2)OC)C1=O
SPLASH splash10-0100-2910000000-99a1d0d03a853d26e776
Source of Spectrum SO-0-496-3
Synonyms 4-Methoxybenzyl 7-amino-3-{[(5-methoxy-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
Wiley ID 1542182