propan-2-yl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: propan-2-yl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate Openeye Name: isopropyl 4-[(4-methyl-2-quinolyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-methyl-2-quinolinyl)thio]methyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[(4-methylquinolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methyl-2-quinolyl)thio]methyl]benzoic acid isopropyl ester Formula: C21H21NO2S MolecularWeight: 351.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)C(=O)OC(C)C

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC3=CC=C(C=C3)C(=O)OC(C)C

InChI

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