5-methoxy-1-methylsulfanyl-4H-isoquinolin-3-one

Systemtic Name: 5-methoxy-1-methylsulfanyl-4H-isoquinolin-3-one Openeye Name: 5-methoxy-1-methylsulfanyl-4H-isoquinolin-3-one CAS Name: 5-methoxy-1-(methylthio)-4H-isoquinolin-3-one IUPAC Name: 5-methoxy-1-methylsulfanyl-4H-isoquinolin-3-one Traditional Name: 5-methoxy-1-(methylthio)-4H-isoquinolin-3-one Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1CC(=O)N=C2SC

Isomeric SMILES

COC1=CC=CC2=C1CC(=O)N=C2SC

InChI

InChI=1S/C11H11NO2S/c1-14-9-5-3-4-7-8(9)6-10(13)12-11(7)15-2/h3-5H,6H2,1-2H3