[4-(2-methylbutan-2-yl)phenyl] 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate

Systemtic Name: [4-(2-methylbutan-2-yl)phenyl] 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: [4-(1,1-dimethylpropyl)phenyl] 6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid [4-(2-methylbutan-2-yl)phenyl] ester IUPAC Name: [4-(2-methylbutan-2-yl)phenyl] 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(2-thienyl)cinchoninic acid (4-tert-amylphenyl) ester Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=CS4

Isomeric SMILES

CCC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=CS4

InChI

InChI=1S/C27H27NO2S/c1-6-27(4,5)19-9-11-20(12-10-19)30-26(29)22-16-23(24-8-7-13-31-24)28-25-18(3)14-17(2)15-21(22)25/h7-16H,6H2,1-5H3