(4-methylsulfanylphenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate

Systemtic Name: (4-methylsulfanylphenyl)methyl 2-[1,3-bis(oxidanylidene)-4H-isoquinolin-2-yl]ethanoate Openeye Name: (4-methylsulfanylphenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate CAS Name: 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 2-(1,3-dioxo-4H-isoquinolin-2-yl)acetate Traditional Name: 2-(1,3-diketo-4H-isoquinolin-2-yl)acetic acid [4-(methylthio)benzyl] ester Formula: C19H17NO4S MolecularWeight: 355.40758

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)CN2C(=O)CC3=CC=CC=C3C2=O

InChI

InChI=1S/C19H17NO4S/c1-25-15-8-6-13(7-9-15)12-24-18(22)11-20-17(21)10-14-4-2-3-5-16(14)19(20)23/h2-9H,10-12H2,1H3