[2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-[[2,6-bis(fluoranyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,6-difluoroanilino)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(2,6-difluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-difluoroanilino)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2,6-difluoroanilino)-2-keto-ethyl] ester Formula: C22H14F2N2O3S MolecularWeight: 424.419966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC=C4F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC(=O)NC4=C(C=CC=C4F)F

InChI

InChI=1S/C22H14F2N2O3S/c23-15-6-3-7-16(24)21(15)26-20(27)12-29-22(28)14-11-18(19-9-4-10-30-19)25-17-8-2-1-5-13(14)17/h1-11H,12H2,(H,26,27)