3-{((4-Oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidin-2-yl)methyl)thio}propanoic acid

cas: 790271-09-9 — see every product listed under this CAS number, including other names

3-{((4-Oxo-3,4,5,6,7,8-hexahydro(1)benzothieno(2,3-d)pyrimidin-2-yl)methyl)thio}propanoic acid (CAS 790271-09-9) is a chemical reagent available from Chemat. Available pack sizes: 5g, 0,5g. Offered by: Biosynth.

• 2D
• 3D

3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid (CAS 790271-09-9) is a chemical compound with the molecular formula C14H16N2O3S2 and a molecular weight of 324.4 g/mol. IUPAC name: 3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid. InChIKey: XOKAFVKUROCSIP-UHFFFAOYSA-N.

Identity

Molecular formula	C14H16N2O3S2
Molecular weight	324.4 g/mol
IUPAC name	3-[(4-oxo-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanoic acid
InChIKey	XOKAFVKUROCSIP-UHFFFAOYSA-N
SMILES	C1CCC2=C(C1)C3=C(S2)N=C(NC3=O)CSCCC(=O)O

Computed by PubChem (NCBI)

Isomers (same molecular formula)

2-[(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