3-[3-(2-ethoxy-5-methyl-phenyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione

Systemtic Name: 3-[3-(2-ethoxy-5-methyl-phenyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Openeye Name: 3-[3-(2-ethoxy-5-methyl-phenyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione CAS Name: 3-[3-(2-ethoxy-5-methylphenyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione IUPAC Name: 3-[3-(2-ethoxy-5-methylphenyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione Traditional Name: 3-[3-(2-ethoxy-5-methyl-phenyl)-1,2-benzothiazol-5-yl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-quinone Formula: C22H18F3N3O3S MolecularWeight: 461.45683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C)C2=NSC3=C2C=C(C=C3)N4C(=O)C=C(N(C4=O)C)C(F)(F)F

Isomeric SMILES

CCOC1=C(C=C(C=C1)C)C2=NSC3=C2C=C(C=C3)N4C(=O)C=C(N(C4=O)C)C(F)(F)F

InChI

InChI=1S/C22H18F3N3O3S/c1-4-31-16-7-5-12(2)9-14(16)20-15-10-13(6-8-17(15)32-26-20)28-19(29)11-18(22(23,24)25)27(3)21(28)30/h5-11H,4H2,1-3H3