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

HCID 465812

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

Related reactions

3 records

Compound notes

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