methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[(4-nitrophenyl)methylsulfanyl]propanoate

Systemtic Name: methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-3-[(4-nitrophenyl)methylsulfanyl]propanoate Openeye Name: methyl 2-(1,3-dioxoisoindolin-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-3-[(4-nitrophenyl)methylthio]propanoic acid methyl ester IUPAC Name: methyl 2-(1,3-dioxoisoindol-2-yl)-3-[(4-nitrophenyl)methylsulfanyl]propanoate Traditional Name: 3-[(4-nitrobenzyl)thio]-2-phthalimido-propionic acid methyl ester Formula: C19H16N2O6S MolecularWeight: 400.40514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CSCC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C(CSCC1=CC=C(C=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C19H16N2O6S/c1-27-19(24)16(11-28-10-12-6-8-13(9-7-12)21(25)26)20-17(22)14-4-2-3-5-15(14)18(20)23/h2-9,16H,10-11H2,1H3