Basic information
- CAS
5549-97-3- Standard SMILES
CCOc1cccc2c1N(C(C)=O)C(C)(C)C1=C2C2(SC(C(=O)OC)=C(C(=O)OC)S2)C(C(=O)OC)=C(C(=O)OC)S1- InChIKey
RCFFWBWGYGFSFP-UHFFFAOYSA-N- Molecular formula
- C28H29NO10S3
- Average molar mass
- 635.7 g/mol
- Monoisotopic mass
- 635.09535964
Names & identifiers
- Preferred name
- Tetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
- IUPAC
- tetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Names & synonyms
5549-97-3tetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethylspiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateZINC08456336tetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[[1,3]dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylateCDS1_002977ChemDiv1_022753DivK1c_004017HMS651K05DTXSID60386054STK007030AKOS001489319ST50102887
Show more names
AK-968/36944155SR-01000449727SR-01000449727-1methyl 11-acetyl-12-ethoxy-10,10-dimethyl-4,5,8-tris(methoxycarbonyl)spiro[1,3 -dithiolene-2,1'-5,6-dihydrothiino[2,3-c]quinoline]-7-carboxylatetetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-(1'H)-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylatetetramethyl 6'-acetyl-7'-ethoxy-5',5'-dimethyl-5',6'-dihydrospiro[1,3-dithiole-2,1'-thiopyrano[2,3-c]quinoline]-2',3',4,5-tetracarboxylate
Database identifiers
- CAS
5549-97-3- PubChem CID
- 2851815
- DTXSID
DTXSID60386054
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 13
- Rotatable bonds
- 10
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 1,290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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