(cyclohexylideneamino) 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate

Systemtic Name: (cyclohexylideneamino) 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Openeye Name: (cyclohexylideneamino) 4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate CAS Name: 4-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]butanoic acid (cyclohexylideneamino) ester IUPAC Name: (cyclohexylideneamino) 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutanoate Traditional Name: 4-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylbutyric acid (cyclohexylideneamino) ester Formula: C19H20F3N3O4S2 MolecularWeight: 475.50501

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=NOC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)CC1

Isomeric SMILES

C1CCC(=NOC(=O)CCCS(=O)(=O)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3)CC1

InChI

InChI=1S/C19H20F3N3O4S2/c20-19(21,22)16-12-14(15-8-4-10-30-15)23-18(24-16)31(27,28)11-5-9-17(26)29-25-13-6-2-1-3-7-13/h4,8,10,12H,1-3,5-7,9,11H2