[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazol-3-yl] butaneperoxoate

Systemtic Name: [4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]-5-thiophen-2-yl-1,2-oxazol-3-yl] butaneperoxoate Openeye Name: [4-[(1,3-dioxoisoindolin-2-yl)methyl]-5-(2-thienyl)isoxazol-3-yl] butaneperoxoate CAS Name: butaneperoxoic acid [4-[(1,3-dioxo-2-isoindolyl)methyl]-5-thiophen-2-yl-3-isoxazolyl] ester IUPAC Name: [4-[(1,3-dioxoisoindol-2-yl)methyl]-5-thiophen-2-yl-1,2-oxazol-3-yl] butaneperoxoate Traditional Name: peroxybutyric acid [4-(phthalimidomethyl)-5-(2-thienyl)isoxazol-3-yl] ester Formula: C20H16N2O6S MolecularWeight: 412.41584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OOC1=NOC(=C1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

CCCC(=O)OOC1=NOC(=C1CN2C(=O)C3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C20H16N2O6S/c1-2-6-16(23)27-28-18-14(17(26-21-18)15-9-5-10-29-15)11-22-19(24)12-7-3-4-8-13(12)20(22)25/h3-5,7-10H,2,6,11H2,1H3