AC1MIEUH

ethyl 3-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]propanoate

Also Known As: beta-Alanine, N-(((((2,3-dihydro-2,2-dimethyl-7-benzofuranyl)oxy)carbonyl)methylamino)thio)-N-(1-methylpropyl)-, ethyl ester|ethyl 3-[butan-2-yl-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxycarbonyl-methylamino]sulfanylamino]propanoate|Ethyl N-(butan-2-yl)-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-beta-alaninate|Ethyl N-butan-2-yl-N-{[{[(2,2-dimethyl-2,3-dihydro-1-benzofuran-7-yl)oxy]carbonyl}(methyl)amino]sulfanyl}-beta-alaninate

Molecular Formula	C21H32N2O5S
Molecular Weight	424.2032 g/mol
LogP	4.4476
Topological Polar Surface Area	68.31 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	9
Exact Mass	424.2032
Monoisotopic Mass	424.2032
Heavy Atoms	29
Complexity	725.0231

Chemical Identifiers

CAS Number	82560-63-2
SMILES	CCC(C)N(CCC(=O)OCC)SN(C)C(=O)OC1=CC=CC2=C1OC(C2)(C)C