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

Systemtic Name: [1-[[2,4-bis(fluoranyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(2,4-difluoroanilino)-1-methyl-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(2,4-difluoroanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H16F2N2O3S MolecularWeight: 414.425146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16F2N2O3S/c1-13(19(26)25-18-10-9-14(22)12-17(18)23)28-21(27)16-8-5-11-24-20(16)29-15-6-3-2-4-7-15/h2-13H,1H3,(H,25,26)