ethyl 2-methylsulfanyl-3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]propanoate

Systemtic Name: ethyl 2-methylsulfanyl-3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]propanoate Openeye Name: ethyl 2-methylsulfanyl-3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]propanoate CAS Name: 2-(methylthio)-3-[4-[2-(1-oxo-2-phthalazinyl)ethoxy]phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]propanoate Traditional Name: 3-[4-[2-(1-ketophthalazin-2-yl)ethoxy]phenyl]-2-(methylthio)propionic acid ethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C=N2)SC

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OCCN2C(=O)C3=CC=CC=C3C=N2)SC

InChI

InChI=1S/C22H24N2O4S/c1-3-27-22(26)20(29-2)14-16-8-10-18(11-9-16)28-13-12-24-21(25)19-7-5-4-6-17(19)15-23-24/h4-11,15,20H,3,12-14H2,1-2H3