Basic information
- Standard SMILES
CCCCCOC(=O)c1cc(NC(=O)C2=C(C)OCCS2)ccc1Cl- InChIKey
XCFKOYCFQVTTSZ-UHFFFAOYSA-N- Molecular formula
- C18H22ClNO4S
- Average molar mass
- 383.9 g/mol
Names & identifiers
- Preferred name
- Pentyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
- IUPAC
- pentyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Names & synonyms
SCHEMBL9196863XCFKOYCFQVTTSZ-UHFFFAOYSA-Npentyl 2-chloro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoatePentyl 2-chloro-5-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]benzoate2-Chloro-5-{[1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)-methanoyl]-amino}-benzoic acid pentyl ester
Database identifiers
- PubChem CID
- 465812
- Nikkaji
- J670.748C
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 511
Related reactions
3 records
Compound notes
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