(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C24H18ClNO3S MolecularWeight: 435.92262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCCCC(=O)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCCCC(=O)C4=CC=CS4

InChI

InChI=1S/C24H18ClNO3S/c25-17-11-9-16(10-12-17)21-15-19(18-5-1-2-6-20(18)26-21)24(28)29-13-3-7-22(27)23-8-4-14-30-23/h1-2,4-6,8-12,14-15H,3,7,13H2