4-[2-(4-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoic acid

Systemtic Name: 4-[2-(4-methyl-3-oxidanylidene-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoic acid Openeye Name: 4-[2-(2-isopropyl-4-methyl-3-oxo-1,4-benzothiazin-2-yl)phenoxy]butanoic acid CAS Name: 4-[2-(4-methyl-3-oxo-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoic acid IUPAC Name: 4-[2-(4-methyl-3-oxo-2-propan-2-yl-1,4-benzothiazin-2-yl)phenoxy]butanoic acid Traditional Name: 4-[2-(2-isopropyl-3-keto-4-methyl-1,4-benzothiazin-2-yl)phenoxy]butyric acid Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C2=CC=CC=C2S1)C)C3=CC=CC=C3OCCCC(=O)O

Isomeric SMILES

CC(C)C1(C(=O)N(C2=CC=CC=C2S1)C)C3=CC=CC=C3OCCCC(=O)O

InChI

InChI=1S/C22H25NO4S/c1-15(2)22(21(26)23(3)17-10-5-7-12-19(17)28-22)16-9-4-6-11-18(16)27-14-8-13-20(24)25/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,24,25)