Basic information
- CAS
332019-84-8- Standard SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(-c4ccccc4)cc3)c3cc(C)c(C)cc32)S1- InChIKey
PVWHRXOIDQYHCK-UHFFFAOYSA-N- Molecular formula
- C33H29NO5S3
- Average molar mass
- 615.8 g/mol
Names & identifiers
- Preferred name
- Dimethyl 2-[2,2,6,7-tetramethyl-1-(4-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[2,2,6,7-tetramethyl-1-(4-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- English name
- dimethyl 2-(1-([1,1'-biphenyl]-4-ylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
- Molecular formula
- C33H29NO5S3
- Molecular weight
- 615.78
Names & synonyms
dimethyl 2-[1-(biphenyl-4-ylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene]-1,3-dithiole-4,5-dicarboxylateCDS1_002774ChemDiv1_022550DivK1c_003814HMS651A22STK008120AKOS000620162dimethyl 2-[2,2,6,7-tetramethyl-1-(4-phenylbenzoyl)-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAK-968/37173239SR-01000449976SR-01000449976-14,5-DIMETHYL 2-(1-{[1,1'-BIPHENYL]-4-CARBONYL}-2,2,6,7-TETRAMETHYL-3-SULFANYLIDENE-1,2,3,4-TETRAHYDROQUINOLIN-4-YLIDENE)-2H-1,3-DITHIOLE-4,5-DICARBOXYLATE
Show more names
1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-([1,1'-biphenyl]-4-ylcarbonyl)-2,3-dihydro-2,2,6,7-tetramethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
dimethyl 2-(1-([1,1'-biphenyl]-4-carbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-([1,1'-biphenyl]-4-ylcarbonyl)-2,2,6,7-tetramethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene)-1,3-dithiole-4,5-dicarboxylate
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,150
Chemistry & industry
Suppliers2 total
PHARMEKS Ltd.[email protected]
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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