(6R,7R)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-3-[(1-oxo-2-phenylethoxy)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester

SpectraBase Compound ID	8rr16QWKyo6
InChI	InChI=1S/C25H20N2O7S/c1-33-25(32)19-15(12-34-18(28)11-14-7-3-2-4-8-14)13-35-24-20(23(31)27(19)24)26-21(29)16-9-5-6-10-17(16)22(26)30/h2-10,20,24H,11-13H2,1H3/t20-,24-/m1/s1
InChIKey	GVJQVQPWNBSXFC-HYBUGGRVSA-N Google Search
Mol Weight	492.5 g/mol
Molecular Formula	C25H20N2O7S
Exact Mass	492.099122 g/mol

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SpectraBase Spectrum ID	JtRkZIiKPQr
Name	(6R,7R)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-3-[(1-oxo-2-phenylethoxy)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester
Alternate Name(s)	(6R,7R)-8-keto-3-[(2-phenylacetyl)oxymethyl]-7-phthalimido-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Methyl (6R,7R)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-3-[(2-phenylacetyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Methyl (6R,7R)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-3-[(2-phenylacetyl)oxymethyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Methyl (6R,7R)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanylidene-3-(2-phenylethanoyloxymethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
CAS Registry Number	103841-52-7
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C25H20N2O7S
InChI	InChI=1S/C25H20N2O7S/c1-33-25(32)19-15(12-34-18(28)11-14-7-3-2-4-8-14)13-35-24-20(23(31)27(19)24)26-21(29)16-9-5-6-10-17(16)22(26)30/h2-10,20,24H,11-13H2,1H3/t20-,24-/m1/s1
InChIKey	GVJQVQPWNBSXFC-HYBUGGRVSA-N
Molecular Weight	492.502 g/mol
SMILES	[C@]1(N2C(c3ccccc3C2=O)=O)(C(=O)N2[C@@]1(SCC(COC(=O)Cc1ccccc1)=C2C(=O)OC)[H])[H]
SPLASH	splash10-0006-8911000000-f3df15f447e4075c249d
Source of Spectrum	Y-22-1005-3
Wiley ID	1397514