3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]-2-propan-2-ylsulfanyl-propanoic acid

Systemtic Name: 3-[4-[2-(1-oxidanylidenephthalazin-2-yl)ethoxy]phenyl]-2-propan-2-ylsulfanyl-propanoic acid Openeye Name: 2-isopropylsulfanyl-3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]propanoic acid CAS Name: 3-[4-[2-(1-oxo-2-phthalazinyl)ethoxy]phenyl]-2-(propan-2-ylthio)propanoic acid IUPAC Name: 3-[4-[2-(1-oxophthalazin-2-yl)ethoxy]phenyl]-2-propan-2-ylsulfanylpropanoic acid Traditional Name: 2-(isopropylthio)-3-[4-[2-(1-ketophthalazin-2-yl)ethoxy]phenyl]propionic acid Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-15(2)29-20(22(26)27)13-16-7-9-18(10-8-16)28-12-11-24-21(25)19-6-4-3-5-17(19)14-23-24/h3-10,14-15,20H,11-13H2,1-2H3,(H,26,27)