3-{3-oxo-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-4-yl}propanoic acid, 98%

cas: 450394-87-3 — see every product listed under this CAS number, including other names

3-{3-oxo-8-thia-4,6-diazatricyclo(7.4.0.0,2,7)trideca-1(9),2(7),5-trien-4-yl}propanoic acid, 98% (CAS 450394-87-3) is a chemical reagent available from Chemat. Available pack sizes: 1g. Offered by: AmBeed.

• 2D
• 3D

3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid (CAS 450394-87-3) is a chemical compound with the molecular formula C13H14N2O3S and a molecular weight of 278.33 g/mol. IUPAC name: 3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid. InChIKey: OCUIDGHTFTUMJB-UHFFFAOYSA-N.

Identity

Molecular formula	C13H14N2O3S
Molecular weight	278.33 g/mol
IUPAC name	3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid
InChIKey	OCUIDGHTFTUMJB-UHFFFAOYSA-N
SMILES	C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)CCC(=O)O

Computed by PubChem (NCBI)

Synonyms: 3-(4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)propanoic acid, Oprea1_588831, 3-(4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-3-yl)propanoic acid

Isomers (same molecular formula)

3-amino-N-(2-methoxyphenyl)benzenesulfonamide C₁₃H₁₄N₂O₃S

2-[(4-methoxyphenyl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid C₁₃H₁₄N₂O₃S

ethyl 2-[2-(2-amino-1,3-thiazol-4-yl)phenoxy]acetate C₁₃H₁₄N₂O₃S

tert-butyl N-(4-formyl-1,3-benzothiazol-2-yl)carbamate C₁₃H₁₄N₂O₃S

(2E)-N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-1,3-thiazolidin-2-ylidene)acetamide C₁₃H₁₄N₂O₃S

4-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.5.0.03,7]tetradeca-3(7),4,8-triene-5-carboxylic acid C₁₃H₁₄N₂O₃S

ethyl 2-(4-methoxyanilino)-1,3-thiazole-4-carboxylate C₁₃H₁₄N₂O₃S

1-(3,4-dimethoxyphenyl)-3-thiophen-2-ylurea C₁₃H₁₄N₂O₃S

4-amino-N-(3-methoxyphenyl)benzenesulfonamide C₁₃H₁₄N₂O₃S

4-amino-N-(4-methoxyphenyl)benzenesulfonamide C₁₃H₁₄N₂O₃S

ethyl 2-amino-4-(4-methoxyphenyl)-1,3-thiazole-5-carboxylate C₁₃H₁₄N₂O₃S

N-[4-(2,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-2-methylpropanamide C₁₃H₁₄N₂O₃S