[(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [(2S)-1-[(2-chloranyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [(1S)-2-(2-chloro-4-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-chloro-4-fluoroanilino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [(1S)-2-(2-chloro-4-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C21H16ClFN2O3S MolecularWeight: 430.879743

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=C(C=C(C=C1)F)Cl)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C21H16ClFN2O3S/c1-13(19(26)25-18-10-9-14(23)12-17(18)22)28-21(27)16-8-5-11-24-20(16)29-15-6-3-2-4-7-15/h2-13H,1H3,(H,25,26)/t13-/m0/s1