Basic information
- CAS
330440-14-7- Standard SMILES
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)c3ccc(C(C)(C)C)cc3)c3cc(C)ccc32)S1- InChIKey
OKEKYMQNOOZZRP-UHFFFAOYSA-N- Molecular formula
- C30H31NO5S3
- Average molar mass
- 581.8 g/mol
- Monoisotopic mass
- 581.13643661
Names & identifiers
- Preferred name
- Dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- IUPAC
- dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylate
- English name
- dimethyl 2-(1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylate
- Molecular formula
- C30H31NO5S3
- Molecular weight
- 581.77
Names & synonyms
dimethyl 2-{1-[(4-tert-butylphenyl)carbonyl]-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene}-1,3-dithiole-4,5-dicarboxylateSTK789193AKOS000616408dimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-sulfanylidenequinolin-4-ylidene]-1,3-dithiole-4,5-dicarboxylateAG-690/10503027dimethyl 2-(1-(4-(tert-butyl)benzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-(1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydroquinolin-4(1H)-ylidene)-1,3-dithiole-4,5-dicarboxylatedimethyl 2-[1-(4-tert-butylbenzoyl)-2,2,7-trimethyl-3-thioxo-2,3-dihydro-4(1H)-quinolinylidene]-1,3-dithiole-4,5-dicarboxylate1,3-Dithiole-4,5-dicarboxylic acid, 2-[1-[4-(1,1-dimethylethyl)benzoyl]-2,3-dihydro-2,2,7-trimethyl-3-thioxo-4(1H)-quinolinylidene]-, 4,5-dimethyl ester
Database identifiers
- CAS
330440-14-7- PubChem CID
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 156 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 1,080
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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