(2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C22H16FN3O3S MolecularWeight: 421.444143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3O3S/c1-13(27)24-22-25-16(12-30-22)11-29-21(28)18-10-20(14-6-8-15(23)9-7-14)26-19-5-3-2-4-17(18)19/h2-10,12H,11H2,1H3,(H,24,25,27)