3-phenylpropyl 2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: 3-phenylpropyl 2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: 3-phenylpropyl 2-[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-thiophen-2-yl-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 2-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(2-thienyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid 3-phenylpropyl ester Formula: C20H17F3N2O2S2 MolecularWeight: 438.48639

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C3=CC=CS3

InChI

InChI=1S/C20H17F3N2O2S2/c21-20(22,23)17-12-15(16-9-5-11-28-16)24-19(25-17)29-13-18(26)27-10-4-8-14-6-2-1-3-7-14/h1-3,5-7,9,11-12H,4,8,10,13H2