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

Systemtic Name: 2-[[4-[3-(2-oxidanylidene-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioic acid Openeye Name: 2-[[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioic acid CAS Name: 2-[[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioic acid IUPAC Name: 2-[[4-[3-(2-oxo-1,3-benzothiazol-3-yl)propoxy]phenyl]methyl]propanedioic acid Traditional Name: 2-[4-[3-(2-keto-1,3-benzothiazol-3-yl)propoxy]benzyl]malonic acid Formula: C20H19NO6S MolecularWeight: 401.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)S2)CCCOC3=CC=C(C=C3)CC(C(=O)O)C(=O)O

InChI

InChI=1S/C20H19NO6S/c22-18(23)15(19(24)25)12-13-6-8-14(9-7-13)27-11-3-10-21-16-4-1-2-5-17(16)28-20(21)26/h1-2,4-9,15H,3,10-12H2,(H,22,23)(H,24,25)