[2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl] 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylethanoate Openeye Name: [2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl] 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridinyl]thio]acetic acid [2-(cyclopropylamino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxo-1-phenylethyl] 2-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyano-6-methyl-4-(trifluoromethyl)-2-pyridyl]thio]acetic acid [2-(cyclopropylamino)-2-keto-1-phenyl-ethyl] ester Formula: C21H18F3N3O3S MolecularWeight: 449.44613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

CC1=NC(=C(C(=C1)C(F)(F)F)C#N)SCC(=O)OC(C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C21H18F3N3O3S/c1-12-9-16(21(22,23)24)15(10-25)20(26-12)31-11-17(28)30-18(13-5-3-2-4-6-13)19(29)27-14-7-8-14/h2-6,9,14,18H,7-8,11H2,1H3,(H,27,29)