AC1MTSKK

methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate

Also Known As: Oprea1_567947|Oprea1_670988|F1154-0219|methyl 5-cyano-2-hydroxy-4-(2-methylphenyl)-6-{[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl}-3,4-dihydropyridine-3-carboxylate|methyl 5-cyano-2-oxo-6-((2-oxo-2-(thiazol-2-ylamino)ethyl)thio)-4-(o-tolyl)-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-({[(1,3-thiazol-2-yl)carbamoyl]methyl}sulfanyl)-1,2,3,4-tetrahydropyridine-3-carboxylate|methyl 5-cyano-4-(2-methylphenyl)-2-oxo-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-3,4-dihydro-1H-pyridine-3-carboxylate|methyl 5-cyano-6-[(N-1,3-thiazol-2-ylcarbamoyl)methylthio]-2-oxo-4-(o-tolyl)-1,2,3,4-tetrahydronicotinate

Molecular Formula	C20H18N4O4S2
Molecular Weight	442.07693 g/mol
LogP	2.5612
Topological Polar Surface Area	121.18 Ų
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	8
Rotatable Bonds	6
Exact Mass	442.07693
Monoisotopic Mass	442.07693
Heavy Atoms	30
Complexity	1043.3259

Chemical Identifiers

CAS Number	375357-47-4
SMILES	CC1=CC=CC=C1C2C(C(=O)NC(=C2C#N)SCC(=O)NC3=NC=CS3)C(=O)OC