(3-cyanophenyl) 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (3-cyanophenyl) 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (3-cyanophenyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (3-cyanophenyl) ester IUPAC Name: (3-cyanophenyl) 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (3-cyanophenyl) ester Formula: C21H12N2O2S MolecularWeight: 356.39718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12N2O2S/c22-13-14-5-3-6-15(11-14)25-21(24)17-12-19(20-9-4-10-26-20)23-18-8-2-1-7-16(17)18/h1-12H