Basic information
- Standard SMILES
CCOC(=O)c1c(NC(=O)C=CC(=O)O)sc(C)c1C- InChIKey
BFTZHIBQBQWJNU-UHFFFAOYSA-N- Molecular formula
- C13H15NO5S
- Average molar mass
- 297.33 g/mol
Names & identifiers
- Preferred name
- 2-(3-Carboxy-acryloylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
- IUPAC
- 4-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-4-oxobut-2-enoic acid
Names & synonyms
SCHEMBL3922155BFTZHIBQBQWJNU-UHFFFAOYSA-N2-(3-Carboxy-acryloylamino)-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 681548
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Related reactions
3 records
Compound notes
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