dimethyl 2-(1-oxidanylidene-3-sulfanylidene-isoindol-2-yl)pentanedioate

Systemtic Name: dimethyl 2-(1-oxidanylidene-3-sulfanylidene-isoindol-2-yl)pentanedioate Openeye Name: dimethyl 2-(1-oxo-3-thioxo-isoindolin-2-yl)pentanedioate CAS Name: 2-(1-oxo-3-sulfanylidene-2-isoindolyl)pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(1-oxo-3-sulfanylideneisoindol-2-yl)pentanedioate Traditional Name: 2-(1-keto-3-thioxo-isoindolin-2-yl)glutaric acid dimethyl ester Formula: C15H15NO5S MolecularWeight: 321.3483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=S

Isomeric SMILES

COC(=O)CCC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=S

InChI

InChI=1S/C15H15NO5S/c1-20-12(17)8-7-11(15(19)21-2)16-13(18)9-5-3-4-6-10(9)14(16)22/h3-6,11H,7-8H2,1-2H3