methyl 4-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4,6,8-trimethyl-2-quinolyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4,6,8-trimethyl-2-quinolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4,6,8-trimethylquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4,6,8-trimethyl-2-quinolyl)thio]methyl]benzoic acid methyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=CC(=N2)SCC3=CC=C(C=C3)C(=O)OC)C)C

InChI

InChI=1S/C21H21NO2S/c1-13-9-15(3)20-18(10-13)14(2)11-19(22-20)25-12-16-5-7-17(8-6-16)21(23)24-4/h5-11H,12H2,1-4H3