[(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(2-fluorophenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(2-fluoroanilino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [(1S)-2-(2-fluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H17FN2O3S MolecularWeight: 396.434683

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H17FN2O3S/c1-14(19(25)24-18-12-6-5-11-17(18)22)27-21(26)16-10-7-13-23-20(16)28-15-8-3-2-4-9-15/h2-14H,1H3,(H,24,25)/t14-/m0/s1