(6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (6-fluoranyl-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (6-fluoro-2-phenyl-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C29H19ClFNO4S MolecularWeight: 531.981863

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(S6)Cl)F

Isomeric SMILES

C1C2=CC(=CC(=C2OC(O1)C3=CC=CC=C3)COC(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(S6)Cl)F

InChI

InChI=1S/C29H19ClFNO4S/c30-26-11-10-25(37-26)24-14-22(21-8-4-5-9-23(21)32-24)28(33)34-15-18-12-20(31)13-19-16-35-29(36-27(18)19)17-6-2-1-3-7-17/h1-14,29H,15-16H2