2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-methylsulfanyl-butanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)-4-methylsulfanyl-butanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)butanamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(methylthio)-2-phthalimido-butyramide Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C(CCSC)N3C(=O)C4=CC=CC=C4C3=O)OCO2

InChI

InChI=1S/C22H20N2O6S/c1-12(25)15-9-18-19(30-11-29-18)10-16(15)23-20(26)17(7-8-31-2)24-21(27)13-5-3-4-6-14(13)22(24)28/h3-6,9-10,17H,7-8,11H2,1-2H3,(H,23,26)