Ethyl [(2Z)-6-acetamido-2-[(4-phenoxybenzoyl)imino]-1,3-benzothiazol-3(2H)-yl]acetate

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Basic information

CAS: 6280-26-8
Standard SMILES: CCOC(=O)Cn1c(=NC(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(NC(C)=O)ccc21
InChIKey: BIUKBEFNOBBUPF-UHFFFAOYSA-N
Molecular formula: C26H23N3O5S
Average molar mass: 489.5 g/mol
Monoisotopic mass: 489.13584202

Names & identifiers

Preferred name: Ethyl [(2Z)-6-acetamido-2-[(4-phenoxybenzoyl)imino]-1,3-benzothiazol-3(2H)-yl]acetate
IUPAC: ethyl 2-[6-acetamido-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate

Names & synonyms

6280-26-8DTXSID90412274Ethyl [(2Z)-6-acetamido-2-[(4-phenoxybenzoyl)imino]-1,3-benzothiazol-3(2H)-yl]acetateF1366-3138(Z)-ethyl 2-(6-acetamido-2-((4-phenoxybenzoyl)imino)benzo[d]thiazol-3(2H)-yl)acetate

Database identifiers

CAS: 6280-26-8
PubChem CID: 5237296
DTXSID: DTXSID90412274

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 123 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 35
Formal charge: 0
Complexity: 792

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