Ethyl 6-tert-butyl-2-(1-naphthoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Basic information
- CAS
403661-87-0- Standard SMILES
CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCC(C(C)(C)C)C2- InChIKey
WNUGHISEENSMLX-UHFFFAOYSA-N- Molecular formula
- C26H29NO3S
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.18681496
Names & identifiers
- Preferred name
- Ethyl 6-tert-butyl-2-(1-naphthoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- ethyl 6-tert-butyl-2-(naphthalene-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- ethyl 6-tert-butyl-2-(1-naphthoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C26H29NO3S
- Molecular weight
- 435.57836
Names & synonyms
403661-87-0ethyl 6-tert-butyl-2-(1-naphthoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateEthyl 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[(1-naphthalenylcarbonyl)amino]benzo[b]thiophene-3-carboxylateethyl 6-tert-butyl-2-[(naphthalen-1-ylcarbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_610781DTXSID201107946STK331300AKOS001616052AKOS016198591ethyl 6-tert-butyl-2-(naphthalene-1-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50918713AK-968/12121775
Show more names
SR-01000447718SR-01000447718-1Benzo[b]thiophene-3-carboxylic acid, 6-(1,1-dimethylethyl)-4,5,6,7-tetrahydro-2-[(1-naphthalenylcarbonyl)amino]-, ethyl esterethyl 6-(tert-butyl)-2-(naphthylcarbonylamino)-4,5,6,7-tetrahydrobenzo[b]thiop hene-3-carboxylate
Database identifiers
- CAS
403661-87-0
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 660
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Compound notes
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