CBMicro_022531

dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate

Also Known As: CBMicro_022531|ChemDiv1_022533|DivK1c_003797|HMS651A05|CCG-9507|CDS1_002757|BAS 00458911|BIM-0022460.P001|AG-690/11096059|dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-sulfanylidenequinolin-4-ylidene)-1,3-dithiole-4,5-dicarboxylate|SR-01000449720-1|4,5-DIMETHYL 2-(1-BENZOYL-7-METHOXY-2,2-DIMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE|dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-(1-benzoyl-7-methoxy-2,2-dimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate|dimethyl 2-[7-methoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylate|methyl 2-[7-methoxy-2,2-dimethyl-1-(phenylcarbonyl)-3-thioxo(4-1,2-dihydroquin olylidene)]-5-(methoxycarbonyl)-1,3-dithiolene-4-carboxylate

Molecular Formula	C26H23NO6S3
Molecular Weight	541.0687 g/mol
LogP	5.2103
Topological Polar Surface Area	82.14 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	9
Rotatable Bonds	4
Exact Mass	541.0687
Monoisotopic Mass	541.0687
Heavy Atoms	36
Complexity	1316.7031

Chemical Identifiers

CAS Number	330179-57-2
SMILES	CC1(C(=S)C(=C2SC(=C(S2)C(=O)OC)C(=O)OC)C3=C(N1C(=O)C4=CC=CC=C4)C=C(C=C3)OC)C