sodium 6-fluoranyl-3-methyl-2-(4-thiophen-2-ylphenyl)quinoline-4-carboxylate

Systemtic Name: sodium 6-fluoranyl-3-methyl-2-(4-thiophen-2-ylphenyl)quinoline-4-carboxylate Openeye Name: sodium 6-fluoro-3-methyl-2-[4-(2-thienyl)phenyl]quinoline-4-carboxylate CAS Name: sodium 6-fluoro-3-methyl-2-(4-thiophen-2-ylphenyl)-4-quinolinecarboxylate IUPAC Name: sodium 6-fluoro-3-methyl-2-(4-thiophen-2-ylphenyl)quinoline-4-carboxylate Traditional Name: sodium 6-fluoro-3-methyl-2-[4-(2-thienyl)phenyl]cinchoninate Formula: C21H13FNNaO2S MolecularWeight: 385.386593

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)C4=CC=CS4.[Na+]

Isomeric SMILES

CC1=C(N=C2C=CC(=CC2=C1C(=O)[O-])F)C3=CC=C(C=C3)C4=CC=CS4.[Na+]

InChI

InChI=1S/C21H14FNO2S.Na/c1-12-19(21(24)25)16-11-15(22)8-9-17(16)23-20(12)14-6-4-13(5-7-14)18-3-2-10-26-18;/h2-11H,1H3,(H,24,25);/q;+1/p-1