[2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 2-phenylquinoline-4-carboxylate

Systemtic Name: [2-[ethanoyl-(2-fluorophenyl)amino]-1,3-thiazol-4-yl]methyl 2-phenylquinoline-4-carboxylate Openeye Name: [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid [2-(N-acetyl-2-fluoroanilino)-4-thiazolyl]methyl ester IUPAC Name: [2-(N-acetyl-2-fluoroanilino)-1,3-thiazol-4-yl]methyl 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid [2-(N-acetyl-2-fluoro-anilino)thiazol-4-yl]methyl ester Formula: C28H20FN3O3S MolecularWeight: 497.540103

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

CC(=O)N(C1=CC=CC=C1F)C2=NC(=CS2)COC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C28H20FN3O3S/c1-18(33)32(26-14-8-6-12-23(26)29)28-30-20(17-36-28)16-35-27(34)22-15-25(19-9-3-2-4-10-19)31-24-13-7-5-11-21(22)24/h2-15,17H,16H2,1H3