Basic information
- Standard SMILES
CCOC(=O)CC1Sc2ccccc2N(CC(=O)O)C1=O- InChIKey
QQEQDZUSOLCIFX-UHFFFAOYSA-N- Molecular formula
- C14H15NO5S
- Average molar mass
- 309.34 g/mol
Names & identifiers
- Preferred name
- ethyl 2-(3,4-dihydro-4-(carboxymetyl)-3-oxo-2H-benzo[b][1,4]thiazin-2-yl)acetate
- IUPAC
- 2-[2-(2-ethoxy-2-oxoethyl)-3-oxo-1,4-benzothiazin-4-yl]acetic acid
Names & synonyms
SCHEMBL4473939QQEQDZUSOLCIFX-UHFFFAOYSA-Nethyl 2-(3,4-dihydro-4-(carboxymetyl)-3-oxo-2H-benzo[b][1,4]thiazin-2-yl)acetate
Database identifiers
- PubChem CID
- 22736612
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 428
Related reactions
2 records
Compound notes
Loading…