AC1NXQUW

methyl 4-[(3E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate

Also Known As: methyl 4-(1-(5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-(2,3-dihydrobenzo[b][1,4]dioxine-6-carbonyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)benzoate|methyl 4-[(3E)-1-[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl]benzoate|methyl 4-{(3E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-4,5-dioxopyrrolidin-2-yl}benzoate

Molecular Formula	C30H22ClN3O7S2
Molecular Weight	635.0588 g/mol
LogP	5.6679
Topological Polar Surface Area	128.15 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	11
Rotatable Bonds	7
Exact Mass	635.0588
Monoisotopic Mass	635.0588
Heavy Atoms	43
Complexity	1756.322

Chemical Identifiers

CAS Number	620576-83-2
SMILES	COC(=O)C1=CC=C(C=C1)C2/C(=C(/C3=CC4=C(C=C3)OCCO4)\O)/C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl