Basic information
- CAS
75314-23-7- Standard SMILES
CCOC(=O)c1c(N)sc2c1C(C(=O)OC)C(C(=O)OC)C(C(=O)OC)=C2C(=O)OC- InChIKey
YPMFWOFSHPEQLH-UHFFFAOYSA-N- Molecular formula
- C19H21NO10S
- Average molar mass
- 455.4 g/mol
- Monoisotopic mass
- 455.08861704
Names & identifiers
- Preferred name
- 3-O-ethyl 4-O,5-O,6-O,7-O-tetramethyl 2-amino-4,5-dihydro-1-benzothiophene-3,4,5,6,7-pentacarboxylate
- IUPAC
- 3-O-ethyl 4-O,5-O,6-O,7-O-tetramethyl 2-amino-4,5-dihydro-1-benzothiophene-3,4,5,6,7-pentacarboxylate
- English name
- 2-Amino-4,5-dihydrobenzo[b]thiophene-3,4,5,6,7-pentacarboxylic acid 3-ethyl 4,5,6,7-tetramethyl ester
- Molecular weight
- 0
Names & synonyms
75314-23-72-Amino-4,5-dihydrobenzo[b]thiophene-3,4,5,6,7-pentacarboxylic acid 3-ethyl 4,5,6,7-tetramethyl ester
Database identifiers
- CAS
75314-23-7- PubChem CID
- 12399753
- Nikkaji
- J144.692D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 186 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 810
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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