dimethyl 2-[3-oxidanylidene-5-(phenylcarbonyl)-1,2-thiazol-2-yl]propanedioate

Systemtic Name: dimethyl 2-[3-oxidanylidene-5-(phenylcarbonyl)-1,2-thiazol-2-yl]propanedioate Openeye Name: dimethyl 2-(5-benzoyl-3-oxo-isothiazol-2-yl)propanedioate CAS Name: 2-(5-benzoyl-3-oxo-2-isothiazolyl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(5-benzoyl-3-oxo-1,2-thiazol-2-yl)propanedioate Traditional Name: 2-(5-benzoyl-3-keto-4-isothiazolin-2-yl)malonic acid dimethyl ester Formula: C15H13NO6S MolecularWeight: 335.33182

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)OC)N1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C(C(=O)OC)N1C(=O)C=C(S1)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO6S/c1-21-14(19)12(15(20)22-2)16-11(17)8-10(23-16)13(18)9-6-4-3-5-7-9/h3-8,12H,1-2H3