[2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(3,4-difluorophenyl)-2-keto-ethyl] ester Formula: C22H13F2NO3S MolecularWeight: 409.405326

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC(=C(C=C4)F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)C4=CC(=C(C=C4)F)F

InChI

InChI=1S/C22H13F2NO3S/c23-16-8-7-13(10-17(16)24)20(26)12-28-22(27)15-11-19(21-6-3-9-29-21)25-18-5-2-1-4-14(15)18/h1-11H,12H2