4-Methoxyimino-5-methyl-6-(1-ethyl-5-phenacyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide

HCID 86752170

Basic information

Standard SMILES
CCn1ncc(C(=O)c2ccc3c(c2C)C(=NOC)CCS3(=O)=O)c1OCC(=O)c1ccccc1
InChIKey
FTQVFMPZZSOSCS-UHFFFAOYSA-N
Molecular formula
C25H25N3O6S
Average molar mass
495.5 g/mol

Names & identifiers

Preferred name
4-Methoxyimino-5-methyl-6-(1-ethyl-5-phenacyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide
IUPAC
2-[1-ethyl-4-(4-methoxyimino-5-methyl-1,1-dioxo-2,3-dihydrothiochromene-6-carbonyl)pyrazol-5-yl]oxy-1-phenylethanone

Names & synonyms

SCHEMBL8462335FTQVFMPZZSOSCS-UHFFFAOYSA-N4-methoxyimino -5-methyl-6-(1- ethyl -5-phenacyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide4-methoxyimino-5-methyl-6-(1-ethyl-5-phenacyloxypyrazol-4-yl)carbonylthiochroman-1,1-dioxide

Database identifiers

PubChem CID
86752170

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
125 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
35

Related reactions

3 records

Compound notes

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