[2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-[1-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C22H19FN2O3S MolecularWeight: 410.461263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C1=CC=C(C=C1)F)NC(=O)COC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H19FN2O3S/c1-15(16-9-11-17(23)12-10-16)25-20(26)14-28-22(27)19-8-5-13-24-21(19)29-18-6-3-2-4-7-18/h2-13,15H,14H2,1H3,(H,25,26)