(2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-cyclohexylphenyl)quinoline-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 2-(4-cyclohexylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-cyclohexylphenyl)-4-quinolinecarboxylic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 2-(4-cyclohexylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-cyclohexylphenyl)cinchoninic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C28H25NO3S MolecularWeight: 455.568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC(=O)C5=CC=CS5

InChI

InChI=1S/C28H25NO3S/c30-26(27-11-6-16-33-27)18-32-28(31)23-17-25(29-24-10-5-4-9-22(23)24)21-14-12-20(13-15-21)19-7-2-1-3-8-19/h4-6,9-17,19H,1-3,7-8,18H2