AC1NE877

ethyl 5-acetyl-2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylthiophene-3-carboxylate

Also Known As: ethyl 5-acetyl-2-((4,5-dimethoxy-3-oxo-1,3-dihydroisobenzofuran-1-yl)amino)-4-methylthiophene-3-carboxylate|ethyl 5-acetyl-2-[(4,5-dimethoxy-3-oxo-1,3-dihydro-2-benzofuran-1-yl)amino]-4-methylthiophene-3-carboxylate|ethyl 5-acetyl-2-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]-4-methylthiophene-3-carboxylate

Molecular Formula	C20H21NO7S
Molecular Weight	419.10388 g/mol
LogP	3.73412
Topological Polar Surface Area	100.16 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	7
Exact Mass	419.10388
Monoisotopic Mass	419.10388
Heavy Atoms	29
Complexity	995.2013

Chemical Identifiers

CAS Number	796880-72-3
SMILES	CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC2C3=C(C(=C(C=C3)OC)OC)C(=O)O2