Methyl 3-ethoxycarbonylmethyl-benzo[b]thiophene-7-carboxylate
Basic information
- Standard SMILES
CCOC(=O)Cc1csc2c(C(=O)OC)cccc12- InChIKey
IMRFFZAYNXCFHZ-UHFFFAOYSA-N- Molecular formula
- C14H14O4S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.0612801
Names & identifiers
- Preferred name
- Methyl 3-ethoxycarbonylmethyl-benzo[b]thiophene-7-carboxylate
- IUPAC
- methyl 3-(2-ethoxy-2-oxoethyl)-1-benzothiophene-7-carboxylate
Names & synonyms
SCHEMBL3080403IMRFFZAYNXCFHZ-UHFFFAOYSA-Nmethyl 3-ethoxycarbonylmethyl-benzo[b]thiophene-7-carboxylate
Database identifiers
- PubChem CID
- 59488809
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
2 records
Compound notes
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