4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-methyl-2-oxidanyl-3-oxidanylidene-pentanoic acid

Systemtic Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-methyl-2-oxidanyl-3-oxidanylidene-pentanoic acid Openeye Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-hydroxy-2-methyl-3-oxo-pentanoic acid CAS Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-hydroxy-2-methyl-3-oxopentanoic acid IUPAC Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-hydroxy-2-methyl-3-oxopentanoic acid Traditional Name: 4-[4-(1,3-benzothiazol-2-yloxy)phenoxy]-2-hydroxy-3-keto-2-methyl-valeric acid Formula: C19H17NO6S MolecularWeight: 387.40638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(C)(C(=O)O)O)OC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C(=O)C(C)(C(=O)O)O)OC1=CC=C(C=C1)OC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H17NO6S/c1-11(16(21)19(2,24)17(22)23)25-12-7-9-13(10-8-12)26-18-20-14-5-3-4-6-15(14)27-18/h3-11,24H,1-2H3,(H,22,23)