[2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(5-chloranyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-phenylsulfanylpyridine-3-carboxylate Openeye Name: [2-(5-chloro-2-fluoro-anilino)-2-oxo-ethyl] 2-phenylsulfanylpyridine-3-carboxylate CAS Name: 2-(phenylthio)-3-pyridinecarboxylic acid [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate Traditional Name: 2-(phenylthio)nicotinic acid [2-(5-chloro-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C20H14ClFN2O3S MolecularWeight: 416.853163

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC3=C(C=CC(=C3)Cl)F

InChI

InChI=1S/C20H14ClFN2O3S/c21-13-8-9-16(22)17(11-13)24-18(25)12-27-20(26)15-7-4-10-23-19(15)28-14-5-2-1-3-6-14/h1-11H,12H2,(H,24,25)