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

Systemtic Name: 4-(1,2-benzothiazol-3-yl)butanoic acid Openeye Name: 4-(1,2-benzothiazol-3-yl)butanoic acid CAS Name: 4-(1,2-benzothiazol-3-yl)butanoic acid IUPAC Name: 4-(1,2-benzothiazol-3-yl)butanoic acid Traditional Name: 4-(1,2-benzothiazol-3-yl)butyric acid Formula: C11H11NO2S MolecularWeight: 221.27554

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)CCCC(=O)O

InChI

InChI=1S/C11H11NO2S/c13-11(14)7-3-5-9-8-4-1-2-6-10(8)15-12-9/h1-2,4,6H,3,5,7H2,(H,13,14)