(2,6-dimethylphenyl) 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (2,6-dimethylphenyl) ester Formula: C22H17NO2S MolecularWeight: 359.44088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C22H17NO2S/c1-14-7-5-8-15(2)21(14)25-22(24)17-13-19(20-11-6-12-26-20)23-18-10-4-3-9-16(17)18/h3-13H,1-2H3