(4-tert-butylphenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (4-tert-butylphenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (4-tert-butylphenyl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (4-tert-butylbenzyl) ester Formula: C23H25NO2S MolecularWeight: 379.5151

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)OCC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C23H25NO2S/c1-16-13-21(24-20-8-6-5-7-19(16)20)27-15-22(25)26-14-17-9-11-18(12-10-17)23(2,3)4/h5-13H,14-15H2,1-4H3