AC1M0EKR

ethyl 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate

Also Known As: AG-205/11318449|SR-01000509519-1|A0533/0024607|ethyl 4-{[3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}-3-oxobutanoate|ethyl 4-((3-cyano-4-(thiophen-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl)thio)-3-oxobutanoate|ethyl 4-(3-cyano-4-(2-thienyl)(2-5,6,7,8-tetrahydroquinolylthio))-3-oxobutanoa te|ethyl 4-[(3-cyano-4-thien-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate|ethyl 4-{[3-cyano-4-(2-thienyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}-3-oxobutanoate|ethyl 4-[(3-cyano-4-thiophen-2-yl-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]-3-oxobutanoate

Molecular Formula	C20H20N2O3S2
Molecular Weight	400.09152 g/mol
LogP	4.17498
Topological Polar Surface Area	80.05 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	7
Exact Mass	400.09152
Monoisotopic Mass	400.09152
Heavy Atoms	27
Complexity	885.6172

Chemical Identifiers

CAS Number	290299-65-9
SMILES	CCOC(=O)CC(=O)CSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=CS3