methyl 5-[N-acetyl-N-(2-methoxyethyl)amino]-4,7-dihydro-6-(2-methoxyethyl)amino-4,7-dioxobenzo[b]thiophene-2-carboxylate
Basic information
- Standard SMILES
COCCNC1=C(N(CCOC)C(C)=O)C(=O)c2cc(C(=O)OC)sc2C1=O- InChIKey
NMYKOYDNRGGDST-UHFFFAOYSA-N- Molecular formula
- C18H22N2O7S
- Average molar mass
- 410.4 g/mol
Names & identifiers
- Preferred name
- methyl 5-[N-acetyl-N-(2-methoxyethyl)amino]-4,7-dihydro-6-(2-methoxyethyl)amino-4,7-dioxobenzo[b]thiophene-2-carboxylate
- IUPAC
- methyl 5-[acetyl(2-methoxyethyl)amino]-6-(2-methoxyethylamino)-4,7-dioxo-1-benzothiophene-2-carboxylate
Names & synonyms
SCHEMBL6796100NMYKOYDNRGGDST-UHFFFAOYSA-Nmethyl 5-[N-acetyl-N-(2-methoxyethyl)amino]-4,7-dihydro-6-(2-methoxyethyl)amino-4,7-dioxobenzo[b]thiophene-2-carboxylate
Database identifiers
- PubChem CID
- 22719980
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 679
Related reactions
2 records
Compound notes
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