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

Systemtic Name: (phenylmethyl) 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: benzyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid benzyl ester Formula: C21H14ClNO2S MolecularWeight: 379.85936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14ClNO2S/c22-20-11-10-19(26-20)18-12-16(15-8-4-5-9-17(15)23-18)21(24)25-13-14-6-2-1-3-7-14/h1-12H,13H2