ethyl 4-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H16F3N3O3S MolecularWeight: 399.38745

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=CC(=N2)C(F)(F)F)C

InChI

InChI=1S/C17H16F3N3O3S/c1-3-26-15(25)11-4-6-12(7-5-11)22-14(24)9-27-16-21-10(2)8-13(23-16)17(18,19)20/h4-8H,3,9H2,1-2H3,(H,22,24)