[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[3-(trifluoromethyl)phenyl]thio]-3-pyridinecarboxylic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[3-(trifluoromethyl)phenyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[3-(trifluoromethyl)phenyl]thio]nicotinic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C18H17F3N2O3S MolecularWeight: 398.39939

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C18H17F3N2O3S/c1-11(2)23-15(24)10-26-17(25)14-7-4-8-22-16(14)27-13-6-3-5-12(9-13)18(19,20)21/h3-9,11H,10H2,1-2H3,(H,23,24)