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

Systemtic Name: methyl 4-[[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]-1,3-dioxolan-2-yl]methylsulfanyl]benzoate Openeye Name: methyl 4-[[2-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-1,3-dioxolan-2-yl]methylsulfanyl]benzoate CAS Name: 4-[[2-[2-(1,3-dioxo-2-isoindolyl)ethyl]-1,3-dioxolan-2-yl]methylthio]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(1,3-dioxoisoindol-2-yl)ethyl]-1,3-dioxolan-2-yl]methylsulfanyl]benzoate Traditional Name: 4-[[2-(2-phthalimidoethyl)-1,3-dioxolan-2-yl]methylthio]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)SCC2(OCCO2)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SCC2(OCCO2)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H21NO6S/c1-27-21(26)15-6-8-16(9-7-15)30-14-22(28-12-13-29-22)10-11-23-19(24)17-4-2-3-5-18(17)20(23)25/h2-9H,10-14H2,1H3