2-ethoxy-3-[3-(2-methoxy-5-methyl-phenyl)-1,2-benzothiazol-5-yl]-6-(trifluoromethyl)pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=CC(=O)N1C2=CC3=C(C=C2)SN=C3C4=C(C=CC(=C4)C)OC)C(F)(F)F

Isomeric SMILES

CCOC1=NC(=CC(=O)N1C2=CC3=C(C=C2)SN=C3C4=C(C=CC(=C4)C)OC)C(F)(F)F

InChI

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