cyanomethyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: cyanomethyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: cyanomethyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid cyanomethyl ester Formula: C16H9ClN2O2S MolecularWeight: 328.77286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H9ClN2O2S/c17-15-6-5-14(22-15)13-9-11(16(20)21-8-7-18)10-3-1-2-4-12(10)19-13/h1-6,9H,8H2