[2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(2-prop-2-enylsulfanylphenyl)amino]ethyl] 7-fluoranyl-2-methyl-quinoline-3-carboxylate Openeye Name: [2-(2-allylsulfanylanilino)-2-oxo-ethyl] 7-fluoro-2-methyl-quinoline-3-carboxylate CAS Name: 7-fluoro-2-methyl-3-quinolinecarboxylic acid [2-oxo-2-[2-(prop-2-enylthio)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(2-prop-2-enylsulfanylanilino)ethyl] 7-fluoro-2-methylquinoline-3-carboxylate Traditional Name: 7-fluoro-2-methyl-quinoline-3-carboxylic acid [2-[2-(allylthio)anilino]-2-keto-ethyl] ester Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)NC3=CC=CC=C3SCC=C

Isomeric SMILES

CC1=C(C=C2C=CC(=CC2=N1)F)C(=O)OCC(=O)NC3=CC=CC=C3SCC=C

InChI

InChI=1S/C22H19FN2O3S/c1-3-10-29-20-7-5-4-6-18(20)25-21(26)13-28-22(27)17-11-15-8-9-16(23)12-19(15)24-14(17)2/h3-9,11-12H,1,10,13H2,2H3,(H,25,26)