(1-methylsulfanylisoquinolin-3-yl) 2-phenylethanoate

Systemtic Name: (1-methylsulfanylisoquinolin-3-yl) 2-phenylethanoate Openeye Name: (1-methylsulfanyl-3-isoquinolyl) 2-phenylacetate CAS Name: 2-phenylacetic acid [1-(methylthio)-3-isoquinolinyl] ester IUPAC Name: (1-methylsulfanylisoquinolin-3-yl) 2-phenylacetate Traditional Name: 2-phenylacetic acid [1-(methylthio)-3-isoquinolyl] ester Formula: C18H15NO2S MolecularWeight: 309.3822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=CC2=CC=CC=C21)OC(=O)CC3=CC=CC=C3

Isomeric SMILES

CSC1=NC(=CC2=CC=CC=C21)OC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H15NO2S/c1-22-18-15-10-6-5-9-14(15)12-16(19-18)21-17(20)11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3