(3-bromophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate

Systemtic Name: (3-bromophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylethanoate Openeye Name: (3-bromophenyl)methyl 2-[(4-methyl-2-quinolyl)sulfanyl]acetate CAS Name: 2-[(4-methyl-2-quinolinyl)thio]acetic acid (3-bromophenyl)methyl ester IUPAC Name: (3-bromophenyl)methyl 2-(4-methylquinolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-methyl-2-quinolyl)thio]acetic acid (3-bromobenzyl) ester Formula: C19H16BrNO2S MolecularWeight: 402.30484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16BrNO2S/c1-13-9-18(21-17-8-3-2-7-16(13)17)24-12-19(22)23-11-14-5-4-6-15(20)10-14/h2-10H,11-12H2,1H3