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

Systemtic Name: dimethyl 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)propanedioate Openeye Name: dimethyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-(2-oxo-1,3-benzothiazol-3-yl)propanedioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)malonic acid dimethyl ester Formula: C12H11NO5S MolecularWeight: 281.28444

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(=O)OC)N1C2=CC=CC=C2SC1=O

Isomeric SMILES

COC(=O)C(C(=O)OC)N1C2=CC=CC=C2SC1=O

InChI

InChI=1S/C12H11NO5S/c1-17-10(14)9(11(15)18-2)13-7-5-3-4-6-8(7)19-12(13)16/h3-6,9H,1-2H3