Ethyl 5-(acetylamino)-4-formyl-3-methylthiophene-2-carboxylate

HCID 816740

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Basic information

CAS: 887569-73-5
Standard SMILES: CCOC(=O)c1sc(NC(C)=O)c(C=O)c1C
InChIKey: VEJOBZBTDOEWLK-UHFFFAOYSA-N
Molecular formula: C11H13NO4S
Average molar mass: 255.29 g/mol
Monoisotopic mass: 255.05652907

Names & identifiers

Preferred name: Ethyl 5-(acetylamino)-4-formyl-3-methylthiophene-2-carboxylate
IUPAC: ethyl 5-acetamido-4-formyl-3-methylthiophene-2-carboxylate
English name: ethyl 5-(acetylamino)-4-formyl-3-methylthiophene-2-carboxylate
Molecular formula: C11H13NO4S
Molecular weight: 255.29022

Names & synonyms

ethyl 5-(acetylamino)-4-formyl-3-methylthiophene-2-carboxylate887569-73-5ethyl 5-acetamido-4-formyl-3-methylthiophene-2-carboxylateEthyl 5-(acetylamino)-4-formyl-3-methyl-2-thiophenecarboxylateSCHEMBL2557726DTXSID701177950SBB101597AA-516/33241006

Database identifiers

CAS: 887569-73-5
PubChem CID: 816740
DTXSID: DTXSID701177950

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 101 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 17
Formal charge: 0
Complexity: 321

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