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5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-8-oxo-, methyl ester, [2R-(2.alpha.,6.alpha.,7.beta.)]-

View entire compound with spectra: 2 MS (GC)

5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-8-oxo-, methyl ester, [2R-(2.alpha.,6.alpha.,7.beta.)]-
SpectraBase Compound ID 2LI6gzLyO25
InChI InChI=1S/C19H16N2O7S/c1-9(22)28-7-10-8-29-18-14(17(25)21(18)13(10)19(26)27-2)20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6,8,13-14,18H,7H2,1-2H3/t13-,14-,18-/m1/s1
InChIKey UYNSWRBIMKDYSI-HBUWYVDXSA-N
Mol Weight 416.4 g/mol
Molecular Formula C19H16N2O7S
Exact Mass 416.067822 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6QhO0RmRWjZ
Name 5-Thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-8-oxo-, methyl ester, [2R-(2.alpha.,6.alpha.,7.beta.)]-
Alternate Name(s) (2R,6R,7R)-3-(acetoxymethyl)-8-keto-7-phthalimido-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid methyl ester Methyl 3-acetoxymethyl-7-phthalimido-2-cephem-4-carboxylate Methyl-3-acetoxymethyl-7-phthalimido-3-cephem-4-carboxylate (2R,6R,7R)-3-(acetyloxymethyl)-7-(1,3-dioxo-2-isoindolyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid methyl ester Methyl (2R,6R,7R)-3-(acetoxymethyl)-7-(1,3-dioxoisoindolin-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Methyl (2R,6R,7R)-3-(acetyloxymethyl)-7-(1,3-dioxoisoindol-2-yl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Methyl (2R,6R,7R)-3-(acetyloxymethyl)-7-[1,3-bis(oxidanylidene)isoindol-2-yl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate
CAS Registry Number 37394-48-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16N2O7S
InChI InChI=1S/C19H16N2O7S/c1-9(22)28-7-10-8-29-18-14(17(25)21(18)13(10)19(26)27-2)20-15(23)11-5-3-4-6-12(11)16(20)24/h3-6,8,13-14,18H,7H2,1-2H3/t13-,14-,18-/m1/s1
InChIKey UYNSWRBIMKDYSI-HBUWYVDXSA-N
Molecular Weight 416.404 g/mol
SMILES [C@]1(N2C(c3ccccc3C2=O)=O)(C(=O)N2[C@@]1(SC=C(COC(=O)C)[C@@]2(C(=O)OC)[H])[H])[H]
SPLASH splash10-0080-0900000000-ba03d0fa5585f536bd80
Source of Spectrum Y-22-1004-3
Wiley ID 1376209