methyl 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: methyl 2-[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylpyridine-3-carboxylate Openeye Name: methyl 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]thio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-keto-2-[3-(trifluoromethyl)anilino]ethyl]thio]nicotinic acid methyl ester Formula: C16H13F3N2O3S MolecularWeight: 370.34623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)SCC(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C16H13F3N2O3S/c1-24-15(23)12-6-3-7-20-14(12)25-9-13(22)21-11-5-2-4-10(8-11)16(17,18)19/h2-8H,9H2,1H3,(H,21,22)