Isopropyl 2-{[(5-ethyl-3-thienyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
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Basic information
- CAS
438214-69-8- Standard SMILES
CCc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCC(c2ccccc2)C3)cs1- InChIKey
BPEQYFWSSODNAJ-UHFFFAOYSA-N- Molecular formula
- C25H27NO3S2
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.14323607
Names & identifiers
- Preferred name
- Isopropyl 2-{[(5-ethyl-3-thienyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- IUPAC
- propan-2-yl 2-[(5-ethylthiophene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- English name
- isopropyl 2-{[(5-ethyl-3-thienyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
- Molecular formula
- C25H27NO3S2
- Molecular weight
- 453.61678
Names & synonyms
isopropyl 2-{[(5-ethyl-3-thienyl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylatepropan-2-yl 2-{[(5-ethylthiophen-3-yl)carbonyl]amino}-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateOprea1_070638AK-968/41017778STK429630AKOS003300752AKOS022147550propan-2-yl 2-[(5-ethylthiophene-3-carbonyl)amino]-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylateST50830134438214-69-8isopropyl 2-(5-ethylthiophene-3-carboxamido)-6-phenyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylatemethylethyl 2-[(5-ethyl(3-thienyl))carbonylamino]-6-phenyl-4,5,6,7-tetrahydrob enzo[b]thiophene-3-carboxylate
Database identifiers
- CAS
438214-69-8- PubChem CID
- 4177221
Properties
Computed structural propertiesFilling in
- XLogP
- 7.1
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 636
Related reactions
0 records
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Compound notes
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