3-acetyloxy-4-(1,3-benzothiazol-2-yl)butanoic acid

Systemtic Name: 3-acetyloxy-4-(1,3-benzothiazol-2-yl)butanoic acid Openeye Name: 3-acetoxy-4-(1,3-benzothiazol-2-yl)butanoic acid CAS Name: 3-acetyloxy-4-(1,3-benzothiazol-2-yl)butanoic acid IUPAC Name: 3-acetyloxy-4-(1,3-benzothiazol-2-yl)butanoic acid Traditional Name: 3-acetoxy-4-(1,3-benzothiazol-2-yl)butyric acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(CC1=NC2=CC=CC=C2S1)CC(=O)O

Isomeric SMILES

CC(=O)OC(CC1=NC2=CC=CC=C2S1)CC(=O)O

InChI

InChI=1S/C13H13NO4S/c1-8(15)18-9(7-13(16)17)6-12-14-10-4-2-3-5-11(10)19-12/h2-5,9H,6-7H2,1H3,(H,16,17)