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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C#N

InChI

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