2-(Ethylsulfanyl)ethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Basic information
- CAS
5708-97-4- Standard SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccccc1OC(C)C- InChIKey
NJZDZCSEIGJSNX-UHFFFAOYSA-N- Molecular formula
- C24H31NO4S
- Average molar mass
- 429.6 g/mol
- Monoisotopic mass
- 429.19737964
Names & identifiers
- Preferred name
- 2-(Ethylsulfanyl)ethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
5708-97-42-(ethylsulfanyl)ethyl 2-methyl-5-oxo-4-[2-(propan-2-yloxy)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateST502749412-(ethylthio)ethyl 4-(2-isopropoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateCBMicro_029086DTXSID203864592-(Ethylsulfanyl)ethyl 2-methyl-5-oxo-4-{2-[(propan-2-yl)oxy]phenyl}-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateSTK016996AKOS000660745AKOS021994638CCG-1086652-ethylsulfanylethyl 2-methyl-5-oxo-4-(2-propan-2-yloxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Show more names
BIM-0028927.P001EU-0074372SR-01000457628SR-01000457628-12-ethylthioethyl 2-methyl-4-[2-(methylethoxy)phenyl]-5-oxo-1,4,6,7,8-pentahydr oquinoline-3-carboxylate
Database identifiers
- CAS
5708-97-4- PubChem CID
- 2863564
- DTXSID
DTXSID20386459
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 712
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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