(2,5-dimethylphenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (2,5-dimethylphenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (2,5-dimethylphenyl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (2,5-dimethylbenzyl) ester Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

InChI=1S/C21H21NO2S/c1-14-8-9-15(2)17(10-14)12-24-21(23)13-25-20-11-16(3)18-6-4-5-7-19(18)22-20/h4-11H,12-13H2,1-3H3