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

Systemtic Name: (2-butan-2-ylphenyl) 6,8-dimethyl-2-thiophen-2-yl-quinoline-4-carboxylate Openeye Name: (2-sec-butylphenyl) 6,8-dimethyl-2-(2-thienyl)quinoline-4-carboxylate CAS Name: 6,8-dimethyl-2-thiophen-2-yl-4-quinolinecarboxylic acid (2-butan-2-ylphenyl) ester IUPAC Name: (2-butan-2-ylphenyl) 6,8-dimethyl-2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 6,8-dimethyl-2-(2-thienyl)cinchoninic acid (2-sec-butylphenyl) ester Formula: C26H25NO2S MolecularWeight: 415.5472

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=CS4

Isomeric SMILES

CCC(C)C1=CC=CC=C1OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=CS4

InChI

InChI=1S/C26H25NO2S/c1-5-17(3)19-9-6-7-10-23(19)29-26(28)21-15-22(24-11-8-12-30-24)27-25-18(4)13-16(2)14-20(21)25/h6-15,17H,5H2,1-4H3