Basic information
- CAS
67568-53-0- Standard SMILES
CCOC(=O)C(=O)Nc1nc2ccccc2s1- InChIKey
JQWLWTCFGLPVHG-UHFFFAOYSA-N- Molecular formula
- C11H10N2O3S
- Average molar mass
- 250.28 g/mol
- Monoisotopic mass
- 250.04121318
Names & identifiers
- Preferred name
- Stk848494
- IUPAC
- ethyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetate
Names & synonyms
67568-53-0STK848494DTXSID60365662RefChem:382300DTXCID30316702Acetic acid, (2-benzothiazolylamino)oxo-, ethyl esterethyl (1,3-benzothiazol-2-ylamino)(oxo)acetateEthyl (2-Benzothiazolyl)Oxamateethyl 2-(1,3-benzothiazol-2-ylamino)-2-oxoacetateethyl [(1,3-benzothiazol-2-yl)carbamoyl]formateethyl 2-(benzo[d]thiazol-2-ylamino)-2-oxoacetateCHEMBL2035960
Show more names
SCHEMBL11114010JQWLWTCFGLPVHG-UHFFFAOYSA-NSTK070207AKOS000644200AKOS005628212ST055460ethyl (N-benzothiazol-2-ylcarbamoyl)formateSR-01000452075
Database identifiers
- CAS
67568-53-0- PubChem CID
- 1929314
- DTXSID
DTXSID60365662- ChEMBL
CHEMBL2035960
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 96.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
2 records
Compound notes
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