dimethyl 2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl]propanedioate

Systemtic Name: dimethyl 2-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethyl]propanedioate Openeye Name: dimethyl 2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]propanedioate CAS Name: 2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[2-(2-oxo-1,3-benzothiazol-3-yl)ethyl]propanedioate Traditional Name: 2-[2-(2-keto-1,3-benzothiazol-3-yl)ethyl]malonic acid dimethyl ester Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCN1C2=CC=CC=C2SC1=O)C(=O)OC

Isomeric SMILES

COC(=O)C(CCN1C2=CC=CC=C2SC1=O)C(=O)OC

InChI

InChI=1S/C14H15NO5S/c1-19-12(16)9(13(17)20-2)7-8-15-10-5-3-4-6-11(10)21-14(15)18/h3-6,9H,7-8H2,1-2H3