(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(5-chloranylthiophen-2-yl)quinoline-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-(5-chloro-2-thienyl)quinoline-4-carboxylate CAS Name: 2-(5-chloro-2-thiophenyl)-4-quinolinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-(5-chlorothiophen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(5-chloro-2-thienyl)cinchoninic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C27H26ClNO2S MolecularWeight: 464.01884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(S4)Cl)C)C(C)(C)C

InChI

InChI=1S/C27H26ClNO2S/c1-16-12-18(27(3,4)5)13-17(2)21(16)15-31-26(30)20-14-23(24-10-11-25(28)32-24)29-22-9-7-6-8-19(20)22/h6-14H,15H2,1-5H3