(6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate

Systemtic Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoate Openeye Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoate CAS Name: 2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanoic acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoate Traditional Name: 4-(methylthio)-2-phthalimido-butyric acid (6-nitro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C22H20N2O8S MolecularWeight: 472.4678

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSCCC(C(=O)OCC1=C2C(=CC(=C1)[N+](=O)[O-])COCO2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H20N2O8S/c1-33-7-6-18(23-20(25)16-4-2-3-5-17(16)21(23)26)22(27)31-11-14-9-15(24(28)29)8-13-10-30-12-32-19(13)14/h2-5,8-9,18H,6-7,10-12H2,1H3