dimethyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-[[4-phenyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]propyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoylamino]benzene-1,4-dicarboxylate Traditional Name: 2-[2-[[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]propanoylamino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C24H20F3N3O5S MolecularWeight: 519.49291

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)SC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

InChI=1S/C24H20F3N3O5S/c1-13(20(31)28-18-11-15(21(32)34-2)9-10-16(18)22(33)35-3)36-23-29-17(14-7-5-4-6-8-14)12-19(30-23)24(25,26)27/h4-13H,1-3H3,(H,28,31)