(2-phenyl-1,3-oxazol-4-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (2-phenyloxazol-4-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-oxazol-4-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (2-phenyloxazol-4-yl)methyl ester Formula: C23H20N2O5S MolecularWeight: 436.4803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=COC(=N1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)OCC1=COC(=N1)C2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H20N2O5S/c1-31-12-11-19(25-21(26)17-9-5-6-10-18(17)22(25)27)23(28)30-14-16-13-29-20(24-16)15-7-3-2-4-8-15/h2-10,13,19H,11-12,14H2,1H3