609795-96-2
ETHYL (2Z)-2-(2-CHLORO-6-FLUOROBENZYLIDENE)-7-METHYL-5-[4-(METHYLSULFANYL)PHENYL]-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
NameETHYL (2Z)-2-(2-CHLORO-6-FLUOROBENZYLIDENE)-7-METHYL-5-[4-(METHYLSULFANYL)PHENYL]-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
pro_formulaC24 H20 Cl F N2 O3 S2
1Identification
【Name】
ETHYL (2Z)-2-(2-CHLORO-6-FLUOROBENZYLIDENE)-7-METHYL-5-[4-(METHYLSULFANYL)PHENYL]-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE
【CAS】
【MDL】
MFCD02794257
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C24 H20 Cl F N2 O3 S2
【pro_molWeight】
503.016
【Inchi】
InChI=1S/C24H20ClFN2O3S2/c1-4-31-23(30)20-13(2)27-24-28(21(20)14-8-10-15(32-3)11-9-14)22(29)19(33-24)12-16-17(25)6-5-7-18(16)26/h5-12,21H,4H2,1-3H3/b19-12-
【InChIKey】
InChIKey=MJPFONAVDLTBGD-UNOMPAQXSA-N
【SMILES】
CCOC(=O)C1=C(N=c2n(c(=O)/c(=C/c3c(cccc3Cl)F)/s2)C1c4ccc(cc4)SC)C
【MOL File】
ETHYL (2Z)-2-(2-CHLO….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:5
XLogP3:6.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
ETHYL (2Z)-2-(2-CHLORO-6-FLUOROBENZYLIDENE)-7-METHYL-5-[4-(METHYLSULFANYL)PHENYL]-3-OXO-2,3-DIHYDRO-5H-[1,3]THIAZOLO[3,2-A]PYRIMIDINE-6-CARBOXYLATE.cml