2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioic acid

Systemtic Name: 2-[[4-[2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[2-(2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[2-(2-keto-1,3-benzothiazol-3-yl)ethoxy]benzyl]malonic acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C19H17NO6S/c21-17(22)14(18(23)24)11-12-5-7-13(8-6-12)26-10-9-20-15-3-1-2-4-16(15)27-19(20)25/h1-8,14H,9-11H2,(H,21,22)(H,23,24)