methyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate

Systemtic Name: methyl 4-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]oxymethyl]benzoate Openeye Name: methyl 4-[[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]oxymethyl]benzoate CAS Name: 4-[[2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]oxymethyl]benzoate Traditional Name: 4-[[4-(methylthio)-2-phthalimido-butanoyl]oxymethyl]benzoic acid methyl ester Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)COC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)COC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H21NO6S/c1-28-21(26)15-9-7-14(8-10-15)13-29-22(27)18(11-12-30-2)23-19(24)16-5-3-4-6-17(16)20(23)25/h3-10,18H,11-13H2,1-2H3