Basic information
- CAS
83446-90-6- Standard SMILES
Cc1ccccc1CN1CCC2SC(=O)C=C2C1.O=C(O)C(=O)O- InChIKey
RVZDEDCTYMUATK-UHFFFAOYSA-N- Molecular formula
- C17H19NO5S
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.09839388
Names & identifiers
- Preferred name
- Thieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-methylphenyl)methyl)-, ethanedioate (1:1)
- IUPAC
- 5-[(2-methylphenyl)methyl]-4,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2-one;oxalic acid
Names & synonyms
5-(o-Methylbenzyl)-5,6,7,7a-tetrahydro-4H-thieno(3,2-c)pyridin-2-one oxalate83446-90-6o-Methylbenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxalate [French]Thieno(3,2-c)pyridin-2(4H)-one, 5,6,7,7a-tetrahydro-5-((2-methylphenyl)methyl)-, ethanedioateThieno(3,2-c)pyridin-2(7aH)-one, 4,5,6,7-tetrahydro-5-((2-methylphenyl)methyl)-, ethanedioate (1:1)o-Methylbenzyl-5 tetrahydro-5,6,7,7a 4H-thieno(3,2-c)pyridinone-2 oxalateRefChem:384997DTXSID301003436Oxalic acid--5-[(2-methylphenyl)methyl]-5,6,7,7a-tetrahydrothieno[3,2-c]pyridin-2(4H)-one (1/1)
Database identifiers
- CAS
83446-90-6- PubChem CID
- 3068435
- DTXSID
DTXSID301003436
Properties
Computed structural properties
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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