(2-oxidanylidene-2-phenylazanyl-ethyl) 2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 2-[2,2,2-tris(fluoranyl)ethylsulfanyl]pyridine-3-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(2,2,2-trifluoroethylthio)-3-pyridinecarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 2-(2,2,2-trifluoroethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(2,2,2-trifluoroethylthio)nicotinic acid (2-anilino-2-keto-ethyl) ester Formula: C16H13F3N2O3S MolecularWeight: 370.34623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13F3N2O3S/c17-16(18,19)10-25-14-12(7-4-8-20-14)15(23)24-9-13(22)21-11-5-2-1-3-6-11/h1-8H,9-10H2,(H,21,22)