AC1MJZ0W

benzyl 2-[[5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate

Also Known As: ChemDiv1_004605|Oprea1_539521|HMS600B07|BAS 00865690|AG-205/12009028|SR-01000443145-1|benzyl 2-{[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate|F0421-0008|A1936/0081441|benzyl {[3-cyano-6-hydroxy-4-(2-nitrophenyl)-4,5-dihydropyridin-2-yl]sulfanyl}acetate|benzyl 2-((3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl)thio)acetate|benzyl 2-[[5-cyano-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridin-6-yl]sulfanyl]acetate|benzyl [(3-cyano-4-{2-nitrophenyl}-6-oxo-1,4,5,6-tetrahydro-2-pyridinyl)sulfanyl]acetate|benzyl {[3-cyano-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate|phenylmethyl 2-[3-cyano-4-(2-nitrophenyl)-6-oxo-2-1,4,5-trihydropyridylthio]ac etate

Molecular Formula	C21H17N3O5S
Molecular Weight	423.0889 g/mol
LogP	3.41008
Topological Polar Surface Area	122.33 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	423.0889
Monoisotopic Mass	423.0889
Heavy Atoms	30
Complexity	1046.1074

Chemical Identifiers

CAS Number	332046-01-2
SMILES	C1C(C(=C(NC1=O)SCC(=O)OCC2=CC=CC=C2)C#N)C3=CC=CC=C3[N+](=O)[O-]