2-ethylsulfanylethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Basic information
- CAS
6627-50-5- Standard SMILES
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CC(c3cccs3)C2)C1c1ccccc1Cl- InChIKey
AFGBAWUTJIXXJK-UHFFFAOYSA-N- Molecular formula
- C25H26ClNO3S2
- Average molar mass
- 488.1 g/mol
- Monoisotopic mass
- 487.1042637
Names & identifiers
- Preferred name
- 2-ethylsulfanylethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
- IUPAC
- 2-ethylsulfanylethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate
Names & synonyms
6627-50-52-(ethylsulfanyl)ethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate2-ethylsulfanylethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-thiophen-2-yl-4,6,7,8-tetrahydro-1H-quinoline-3-carboxylate2-(ethylthio)ethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylateDTXSID10387733STK030720AKOS001653091AKOS021998478CCG-110643EU-0076902ST50589112SR-01000480808
Show more names
SR-01000480808-12-ethylthioethyl 4-(2-chlorophenyl)-2-methyl-5-oxo-7-(2-thienyl)-1,4,6,7,8-pen tahydroquinoline-3-carboxylate
Database identifiers
- CAS
6627-50-5- PubChem CID
- 2906207
- DTXSID
DTXSID10387733
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 796
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Compound notes
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