[4-(4-cyanophenyl)phenyl] 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid [4-(4-cyanophenyl)phenyl] ester Formula: C27H16N2O2S MolecularWeight: 432.49314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C27H16N2O2S/c28-17-18-7-9-19(10-8-18)20-11-13-21(14-12-20)31-27(30)23-16-25(26-6-3-15-32-26)29-24-5-2-1-4-22(23)24/h1-16H