ethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-(1,3-dioxoisoindolin-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 2-[(1,3-dioxo-2-isoindolyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-(1,3-dioxoisoindol-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 3-keto-2-(phthalimidothio)butyric acid ethyl ester Formula: C14H13NO5S MolecularWeight: 307.32172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C)SN1C(=O)C2=CC=CC=C2C1=O

Isomeric SMILES

CCOC(=O)C(C(=O)C)SN1C(=O)C2=CC=CC=C2C1=O

InChI

InChI=1S/C14H13NO5S/c1-3-20-14(19)11(8(2)16)21-15-12(17)9-6-4-5-7-10(9)13(15)18/h4-7,11H,3H2,1-2H3