4-[2-(3-ethanoyl-2H-1,3-benzothiazol-2-yl)phenoxy]butanoic acid

Systemtic Name: 4-[2-(3-ethanoyl-2H-1,3-benzothiazol-2-yl)phenoxy]butanoic acid Openeye Name: 4-[2-(3-acetyl-2H-1,3-benzothiazol-2-yl)phenoxy]butanoic acid CAS Name: 4-[2-(3-acetyl-2H-1,3-benzothiazol-2-yl)phenoxy]butanoic acid IUPAC Name: 4-[2-(3-acetyl-2H-1,3-benzothiazol-2-yl)phenoxy]butanoic acid Traditional Name: 4-[2-(3-acetyl-2H-1,3-benzothiazol-2-yl)phenoxy]butyric acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(SC2=CC=CC=C21)C3=CC=CC=C3OCCCC(=O)O

Isomeric SMILES

CC(=O)N1C(SC2=CC=CC=C21)C3=CC=CC=C3OCCCC(=O)O

InChI

InChI=1S/C19H19NO4S/c1-13(21)20-15-8-3-5-10-17(15)25-19(20)14-7-2-4-9-16(14)24-12-6-11-18(22)23/h2-5,7-10,19H,6,11-12H2,1H3,(H,22,23)