Isopropyl 3(2-chloro-4-fluoro-5-isothiocyanatophenyl)tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate (HCID 11729649)

基本情報

標準SMILES: CC(C)OC(=O)Cn1c(=O)n(C)c(=O)n(-c2cc(N=C=S)c(F)cc2Cl)c1=O
InChIKey: JKMJTGPJIDZMHD-UHFFFAOYSA-N
分子式: C16H14ClFN4O5S
平均分子量: 428.8 g/mol
単同位体質量: 428.0357466

名称と識別子

優先名称: Isopropyl 3(2-chloro-4-fluoro-5-isothiocyanatophenyl)tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate
IUPAC: propan-2-yl 2-[3-(2-chloro-4-fluoro-5-isothiocyanatophenyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate

名称と別名

SCHEMBL8474680JKMJTGPJIDZMHD-UHFFFAOYSA-NIsopropyl 3(2-chloro-4-fluoro-5-isothiocyanatophenyl)tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetateIsopropyl 3-(2-chloro-4-fluoro-5-isothiocyanatophenyl)tetrahydro-5-methyl-2,4,6-trioxo-s-triazine-1(2H)-acetate