2-(({3-oxo-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl)propanoic acid, 95%

cas: 743452-17-7 — see every product listed under this CAS number, including other names

2-(({3-oxo-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-5-yl}methyl)sulfanyl)propanoic acid, 95% (CAS 743452-17-7) is a chemical reagent available from Chemat. Available pack sizes: 5g, 10g. Offered by: AmBeed.

• 2D
• 3D

2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid (CAS 743452-17-7) is a chemical compound with the molecular formula C14H16N2O3S2 and a molecular weight of 324.4 g/mol. IUPAC name: 2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid. InChIKey: MIHKCDODXVZNNR-UHFFFAOYSA-N.

Identity

Molecular formula	C14H16N2O3S2
Molecular weight	324.4 g/mol
IUPAC name	2-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid
InChIKey	MIHKCDODXVZNNR-UHFFFAOYSA-N
SMILES	CC(C(=O)O)SCC1=NC2=C(C3=C(S2)CCCC3)C(=O)N1

Computed by PubChem (NCBI)

Isomers (same molecular formula)

3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid C₁₄H₁₆N₂O₃S₂

(4S)-1-benzyl-4-(hydroxymethyl)-5,7-dimethyl-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione C₁₄H₁₆N₂O₃S₂