[2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [2-(2,4-dichlorophenyl)-2-oxidanylidene-ethyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [2-(2,4-dichlorophenyl)-2-oxo-ethyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [2-(2,4-dichlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dichlorophenyl)-2-oxoethyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [2-(2,4-dichlorophenyl)-2-keto-ethyl] ester Formula: C22H13Cl2NO3S MolecularWeight: 442.31452

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H13Cl2NO3S/c23-13-7-8-15(17(24)10-13)20(26)12-28-22(27)16-11-19(21-6-3-9-29-21)25-18-5-2-1-4-14(16)18/h1-11H,12H2