(4-phenylphenyl) 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: (4-phenylphenyl) 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: (4-phenylphenyl) 6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid (4-phenylphenyl) ester IUPAC Name: (4-phenylphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(2-thienyl)cinchoninic acid (4-phenylphenyl) ester Formula: C28H21NO2S MolecularWeight: 435.53684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)C3=CC=CS3)C(=O)OC4=CC=C(C=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C28H21NO2S/c1-18-15-19(2)27-23(16-18)24(17-25(29-27)26-9-6-14-32-26)28(30)31-22-12-10-21(11-13-22)20-7-4-3-5-8-20/h3-17H,1-2H3