AC1NY1XI

prop-2-enyl 2-[(3E)-2-(3,4-diethoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Also Known As: allyl 2-(2-(3,4-diethoxyphenyl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-1-yl)-4-methylthiazole-5-carboxylate|prop-2-en-1-yl 2-{(3E)-2-(3,4-diethoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate|prop-2-enyl 2-[(3E)-2-(3,4-diethoxyphenyl)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Molecular Formula	C31H30N2O9S
Molecular Weight	606.1672 g/mol
LogP	4.98922
Topological Polar Surface Area	133.72 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	10
Exact Mass	606.1672
Monoisotopic Mass	606.1672
Heavy Atoms	43
Complexity	1627.0905

Chemical Identifiers

CAS Number	620563-99-7
SMILES	CCOC1=C(C=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NC(=C(S5)C(=O)OCC=C)C)OCC