Basic information
- CAS
6279-25-0- Standard SMILES
CCOC(=O)Cn1c(=NC(=O)c2ccc([N+](=O)[O-])cc2)sc2ccccc21- InChIKey
AZYGLAKNOUMWPM-UHFFFAOYSA-N- Molecular formula
- C18H15N3O5S
- Average molar mass
- 385.4 g/mol
- Monoisotopic mass
- 385.07324176
Names & identifiers
- Preferred name
- (Z)-ethyl 2-(2-((4-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate
- IUPAC
- ethyl 2-[2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetate
Names & synonyms
ethyl 2-[(2Z)-2-[(4-nitrobenzoyl)imino]-2,3-dihydro-1,3-benzothiazol-3-yl]acetate6279-25-0865246-95-3F1366-2120(Z)-ethyl 2-(2-((4-nitrobenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetateDTXSID80410845ethyl 2-[2-(4-nitrobenzoyl)imino-1,3-benzothiazol-3-yl]acetateAKOS024607358Ethyl [(2Z)-2-[(4-nitrobenzoyl)imino]-1,3-benzothiazol-3(2H)-yl]acetate
Database identifiers
- CAS
6279-25-0- PubChem CID
- 5218652
- DTXSID
DTXSID80410845
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 613
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…