3-(({12-Oxo-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(8),2(6),9-trien-10-yl}methyl)sulfanyl)propanoic acid

cas: 790719-54-9 — see every product listed under this CAS number, including other names

3-(({12-Oxo-7-thia-9,11-diazatricyclo(6.4.0.0,2,6)dodeca-1(8),2(6),9-trien-10-yl}methyl)sulfanyl)propanoic acid (CAS 790719-54-9) is a chemical reagent available from Chemat. Available pack sizes: 5g, 0,5g. Offered by: Biosynth.

• 2D
• 3D

3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanoic acid (CAS 790719-54-9) is a chemical compound with the molecular formula C13H14N2O3S2 and a molecular weight of 310.4 g/mol. IUPAC name: 3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanoic acid. InChIKey: MISVRHXYGDBZMH-UHFFFAOYSA-N.

Identity

Molecular formula	C13H14N2O3S2
Molecular weight	310.4 g/mol
IUPAC name	3-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]propanoic acid
InChIKey	MISVRHXYGDBZMH-UHFFFAOYSA-N
SMILES	C1CC2=C(C1)SC3=C2C(=O)NC(=N3)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]acetic acid C₁₃H₁₄N₂O₃S₂

2-[(11-ethyl-12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetic acid C₁₃H₁₄N₂O₃S₂