[2,6-bis(chloranyl)phenyl]methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2,6-bis(chloranyl)phenyl]methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (2,6-dichlorophenyl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (2,6-dichlorophenyl)methyl ester IUPAC Name: (2,6-dichlorophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (2,6-dichlorobenzyl) ester Formula: C21H13Cl2NO2S MolecularWeight: 414.30442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=CC=C4Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C21H13Cl2NO2S/c22-16-6-3-7-17(23)15(16)12-26-21(25)14-11-19(20-9-4-10-27-20)24-18-8-2-1-5-13(14)18/h1-11H,12H2