(cyclohexen-1-ylamino) 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate

Systemtic Name: (cyclohexen-1-ylamino) 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoate Openeye Name: (cyclohexen-1-ylamino) 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate CAS Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]acetic acid (1-cyclohexenylamino) ester IUPAC Name: (cyclohexen-1-ylamino) 2-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetic acid (cyclohexen-1-ylamino) ester Formula: C20H20F3N3O3S MolecularWeight: 439.45131

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)ONC3=CCCCC3)C(F)(F)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=N2)SCC(=O)ONC3=CCCCC3)C(F)(F)F

InChI

InChI=1S/C20H20F3N3O3S/c1-28-15-9-7-13(8-10-15)16-11-17(20(21,22)23)25-19(24-16)30-12-18(27)29-26-14-5-3-2-4-6-14/h5,7-11,26H,2-4,6,12H2,1H3