(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(2-thienyl)quinoline-4-carboxylate CAS Name: 2-thiophen-2-yl-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-thiophen-2-ylquinoline-4-carboxylate Traditional Name: 2-(2-thienyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H27NO2S MolecularWeight: 429.57378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4)C)C(C)(C)C

InChI

InChI=1S/C27H27NO2S/c1-17-13-19(27(3,4)5)14-18(2)22(17)16-30-26(29)21-15-24(25-11-8-12-31-25)28-23-10-7-6-9-20(21)23/h6-15H,16H2,1-5H3