Isopropyl 2-chloro-4-fluoro-5-[(6-methyl-2,3-dihydro-1,4-oxathiine-5-carbonyl)amino]benzoate

HCID 465792

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

Related reactions

3 records

Compound notes

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