Basic information
- Standard SMILES
CC1=C(C(=O)Nc2cc(C(=O)OC(C)C)c(Cl)cc2F)SCCO1- InChIKey
SVRQRVXSYRDEPY-UHFFFAOYSA-N- Molecular formula
- C16H17ClFNO4S
- Average molar mass
- 373.8 g/mol
Names & identifiers
- Preferred name
- Isopropyl 2-chloro-4-fluoro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
- IUPAC
- propan-2-yl 2-chloro-4-fluoro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Names & synonyms
SCHEMBL9197103SVRQRVXSYRDEPY-UHFFFAOYSA-N1-Methylethyl 2-chloro-5-[[(5,6-dihydro-2-methyl-1,4-oxathiin-3-yl)carbonyl]amino]-4-fluorobenzoate2-Chloro-4-fluoro-5-{[1-(2-methyl-5,6-dihydro-1,4-oxathiin-3-yl)-methanoyl]-amino}-benzoic acid isopropyl esterisopropyl 2-chloro-4-fluoro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate
Database identifiers
- PubChem CID
- 465792
- Nikkaji
- J670.740H
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 89.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Related reactions
3 records
Compound notes
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