Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate

HCID 2725762

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Basic information

CAS: 284665-16-3
Standard SMILES: CCOC(=O)c1ccc(OC(=O)C=Cc2cccs2)c(Cl)c1
InChIKey: CBLLKWVKQLPJQF-UHFFFAOYSA-N
Molecular formula: C16H13ClO4S
Average molar mass: 336.8 g/mol
Monoisotopic mass: 336.0223078

Names & identifiers

Preferred name: Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoate
IUPAC: ethyl 3-chloro-4-(3-thiophen-2-ylprop-2-enoyloxy)benzoate

Names & synonyms

Ethyl 3-chloro-4-[[1-oxo-3-(2-thienyl)-2-propen-1-yl]oxy]benzoate284665-16-3Ethyl 3-chloro-4-((1-oxo-3-(2-thienyl)-2-propen-1-yl)oxy)benzoateRefChem:343371DTXSID801169358Ethyl 3-chloro-4-{[3-(thiophen-2-yl)prop-2-enoyl]oxy}benzoate

Database identifiers

CAS: 284665-16-3
PubChem CID: 2725762
DTXSID: DTXSID801169358

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 80.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 426

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