AC1MJZ3W

methyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate

Also Known As: Oprea1_032462|Oprea1_306799|BAS 00865940|SR-01000443146-1|methyl 5-cyano-6-(methylthio)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|F0421-0010|methyl 5-cyano-6-(methylsulfanyl)-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-6-methylsulfanyl-4-(2-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 5-cyano-6-methylthio-4-(2-nitrophenyl)-2-oxo-1,3,4-trihydropyridine-3-c arboxylate

Molecular Formula	C15H13N3O5S
Molecular Weight	347.0576 g/mol
LogP	1.69558
Topological Polar Surface Area	122.33 Ų
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	4
Exact Mass	347.0576
Monoisotopic Mass	347.0576
Heavy Atoms	24
Complexity	783.5594

Chemical Identifiers

CAS Number	332050-89-2
SMILES	COC(=O)C1C(C(=C(NC1=O)SC)C#N)C2=CC=CC=C2[N+](=O)[O-]