Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, ethyl ester
Basic information
- CAS
104388-83-2- Standard SMILES
CCOC(=O)C(=O)Nc1nc2ccc(S(N)(=O)=O)cc2s1- InChIKey
AWTCTAGPFRAGIS-UHFFFAOYSA-N- Molecular formula
- C11H11N3O5S2
- Average molar mass
- 329.4 g/mol
- Monoisotopic mass
- 329.01401281
Names & identifiers
- Preferred name
- Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, ethyl ester
- IUPAC
- ethyl 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetate
Names & synonyms
ACETIC ACID, ((6-(AMINOSULFONYL)-2-BENZOTHIAZOLYL)AMINO)OXO-, ETHYL ESTER104388-83-2Benzothiazolyl-2-oxaminic acid, 6-(aminosulfonyl)-, ethyl esterDTXSID70146444((6-(Aminosulfonyl)-2-benzothiazolyl)amino)oxoacetic acid ethyl esterRefChem:316055DTXCID6068935ethyl oxo[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetate
Database identifiers
- CAS
104388-83-2- PubChem CID
- 59846
- DTXSID
DTXSID70146444
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 518
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Compound notes
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