2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedioic acid

Systemtic Name: 2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedioic acid Openeye Name: 2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedioic acid CAS Name: 2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedioic acid IUPAC Name: 2-(3-methyl-1,3-benzothiazol-2-ylidene)propanedioic acid Traditional Name: 2-(3-methyl-1,3-benzothiazol-2-ylidene)malonic acid Formula: C11H9NO4S MolecularWeight: 251.25846

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C(=O)O)C(=O)O

Isomeric SMILES

CN1C2=CC=CC=C2SC1=C(C(=O)O)C(=O)O

InChI

InChI=1S/C11H9NO4S/c1-12-6-4-2-3-5-7(6)17-9(12)8(10(13)14)11(15)16/h2-5H,1H3,(H,13,14)(H,15,16)