AC1NXUXD

ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Also Known As: BAS 00778631|AG-690/11665270|SR-01000409279-1|F1502-0179|ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|(E)-ethyl 7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-(thiophen-2-yl)-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2E)-7-methyl-2-[(4-nitrophenyl)methylidene]-3-oxo-5-(thiophen-2-yl)-2H,3H,5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl (2E)-7-methyl-2-(4-nitrobenzylidene)-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate|ethyl 2-{4-nitrobenzylidene}-7-methyl-3-oxo-5-(2-thienyl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate

Molecular Formula	C21H17N3O5S2
Molecular Weight	455.06097 g/mol
LogP	2.768
Topological Polar Surface Area	103.8 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	8
Rotatable Bonds	5
Exact Mass	455.06097
Monoisotopic Mass	455.06097
Heavy Atoms	31
Complexity	1365.7249

Chemical Identifiers

CAS Number	324072-31-3
SMILES	CCOC(=O)C1=C(N=C2N(C1C3=CC=CS3)C(=O)/C(=C\C4=CC=C(C=C4)[N+](=O)[O-])/S2)C