1-Ethyl-5-(ethylthio)carbonyloxypyrazol-4-yl 3-(methoxycarbonyl)-2-methyl-4-(methylsulfonyl)phenyl ketone

HCID 87233458
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Basic information

Standard SMILES
CCSC(=O)Oc1c(C(=O)c2ccc(S(C)(=O)=O)c(C(=O)OC)c2C)cnn1CC
InChIKey
RSDIBRVKBJMJQN-UHFFFAOYSA-N
Molecular formula
C19H22N2O7S2
Average molar mass
454.5 g/mol
Monoisotopic mass
454.08684339

Names & identifiers

Preferred name
1-Ethyl-5-(ethylthio)carbonyloxypyrazol-4-yl 3-(methoxycarbonyl)-2-methyl-4-(methylsulfonyl)phenyl ketone
IUPAC
methyl 3-(1-ethyl-5-ethylsulfanylcarbonyloxypyrazole-4-carbonyl)-2-methyl-6-methylsulfonylbenzoate

Names & synonyms

SCHEMBL1358567RSDIBRVKBJMJQN-UHFFFAOYSA-N1-ethyl-5-(ethylthio)carbonyloxypyrazol-4-yl 3-(methoxycarbonyl)-2-methyl-4-(methylsulfonyl)phenyl ketone

Database identifiers

PubChem CID
87233458

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
155 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
10
Heavy atoms
30

Related reactions

2 records
New reaction record

Compound notes

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