97055-45-3
ETHYL 2-(4,6-DIMETHYL-3-OXOISOTHIAZOLO[5,4-B]PYRIDIN-2(3H)-YL)ACETATE
NameETHYL 2-(4,6-DIMETHYL-3-OXOISOTHIAZOLO[5,4-B]PYRIDIN-2(3H)-YL)ACETATE
pro_formulaC12 H14 N2 O3 S
1Identification
【Name】
ETHYL 2-(4,6-DIMETHYL-3-OXOISOTHIAZOLO[5,4-B]PYRIDIN-2(3H)-YL)ACETATE
【CAS】
【MDL】
MFCD04110462
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C12 H14 N2 O3 S
【pro_molWeight】
266.32
【Inchi】
InChI=1S/C12H14N2O3S/c1-4-17-9(15)6-14-12(16)10-7(2)5-8(3)13-11(10)18-14/h5H,4,6H2,1-3H3
【InChIKey】
InChIKey=DKPDYTIODYWMNJ-UHFFFAOYSA-N
【SMILES】
CCOC(=O)Cn1c(=O)c2c(cc(nc2s1)C)C
【MOL File】
ETHYL 2-(4,6-DIMETHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:0.0
Bulk/Fine:FB
3MaterialMSDS
4CMLFile
ETHYL 2-(4,6-DIMETHYL-3-OXOISOTHIAZOLO[5,4-B]PYRIDIN-2(3H)-YL)ACETATE.cml