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

Systemtic Name: (3-nitrophenyl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (3-nitrophenyl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (3-nitrobenzyl) ester Formula: C20H18N2O6S MolecularWeight: 414.43172

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCCC(C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H18N2O6S/c1-29-10-9-17(21-18(23)15-7-2-3-8-16(15)19(21)24)20(25)28-12-13-5-4-6-14(11-13)22(26)27/h2-8,11,17H,9-10,12H2,1H3