2-[4-[2-(6-ethanoyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenoxy]-2-methyl-propanoic acid

Systemtic Name: 2-[4-[2-(6-ethanoyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethoxy]phenoxy]-2-methyl-propanoic acid Openeye Name: 2-[4-[2-(6-acetyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenoxy]-2-methyl-propanoic acid CAS Name: 2-[4-[2-(6-acetyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenoxy]-2-methylpropanoic acid IUPAC Name: 2-[4-[2-(6-acetyl-2-oxo-1,3-benzothiazol-3-yl)ethoxy]phenoxy]-2-methylpropanoic acid Traditional Name: 2-[4-[2-(6-acetyl-2-keto-1,3-benzothiazol-3-yl)ethoxy]phenoxy]-2-methyl-propionic acid Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)OC(C)(C)C(=O)O

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1)N(C(=O)S2)CCOC3=CC=C(C=C3)OC(C)(C)C(=O)O

InChI

InChI=1S/C21H21NO6S/c1-13(23)14-4-9-17-18(12-14)29-20(26)22(17)10-11-27-15-5-7-16(8-6-15)28-21(2,3)19(24)25/h4-9,12H,10-11H2,1-3H3,(H,24,25)