(4-cyanophenyl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (4-cyanophenyl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (4-cyanobenzyl) ester Formula: C22H13ClN2O2S MolecularWeight: 404.86882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(S3)Cl)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C22H13ClN2O2S/c23-21-10-9-20(28-21)19-11-17(16-3-1-2-4-18(16)25-19)22(26)27-13-15-7-5-14(12-24)6-8-15/h1-11H,13H2