[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methoxy-4-oxidanylidene-butyl]sulfanylmethyl benzoate

Systemtic Name: [3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methoxy-4-oxidanylidene-butyl]sulfanylmethyl benzoate Openeye Name: [3-(1,3-dioxoisoindolin-2-yl)-4-methoxy-4-oxo-butyl]sulfanylmethyl benzoate CAS Name: benzoic acid [[3-(1,3-dioxo-2-isoindolyl)-4-methoxy-4-oxobutyl]thio]methyl ester IUPAC Name: [3-(1,3-dioxoisoindol-2-yl)-4-methoxy-4-oxobutyl]sulfanylmethyl benzoate Traditional Name: benzoic acid [(4-keto-4-methoxy-3-phthalimido-butyl)thio]methyl ester Formula: C21H19NO6S MolecularWeight: 413.44366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19NO6S/c1-27-21(26)17(22-18(23)15-9-5-6-10-16(15)19(22)24)11-12-29-13-28-20(25)14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3