Ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Basic information
- CAS
352679-13-1- Standard SMILES
CCOC(=O)c1c(NC(=O)C(C)Oc2ccc(Cl)cc2C)sc2c1CCC(CC)C2- InChIKey
PXWPNGOTZNAHAV-UHFFFAOYSA-N- Molecular formula
- C23H28ClNO4S
- Average molar mass
- 450 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C23H28ClNO4S
- Molecular weight
- 449.99072
Names & synonyms
ethyl 2-{[2-(4-chloro-2-methylphenoxy)propanoyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_125522STK421701AKOS003255059AKOS022166671ethyl 2-[2-(4-chloro-2-methylphenoxy)propanoylamino]-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateAK-968/11988013
Database identifiers
- CAS
352679-13-1
Properties
Computed structural propertiesFilling in
- XLogP
- 7.2
- Topological polar surface area
- 92.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 606
Related reactions
0 records
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Compound notes
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