(4-tert-butylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (4-tert-butylbenzyl) ester Formula: C25H23NO2S MolecularWeight: 401.52062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO2S/c1-25(2,3)18-12-10-17(11-13-18)16-28-24(27)20-15-22(23-9-6-14-29-23)26-21-8-5-4-7-19(20)21/h4-15H,16H2,1-3H3