AC1MJW1B

dimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate

Also Known As: BAS 00315534|UPCMLD0ENAT0501-8180:001|AG-690/36007024|dimethyl 2-(1-{3-nitrobenzoyl}-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-[2,2-dimethyl-1-(3-nitrobenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(2,2-dimethyl-1-(3-nitrobenzoyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|DIMETHYL 2-[2,2-DIMETHYL-1-(3-NITROBENZOYL)-3-THIOXO-2,3-DIHYDRO-4(1H)-QUINOLINYLIDEN]-1,3-DITHIOLE-4,5-DICARBOXYLATE|dimethyl 2-{2,2-dimethyl-1-[(3-nitrophenyl)carbonyl]-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylate

Molecular Formula	C25H20N2O7S3
Molecular Weight	556.0433 g/mol
LogP	5.1099
Topological Polar Surface Area	116.05 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	10
Rotatable Bonds	4
Exact Mass	556.0433
Monoisotopic Mass	556.0433
Heavy Atoms	37
Complexity	1415.2638

Chemical Identifiers

CAS Number	307339-97-5
SMILES	CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=CC=CC=C3N1C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C