(2,4-dichlorophenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OCC4=C(C=C(C=C4)Cl)Cl

InChI

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