4-(5-methyl-1,3-benzothiazol-2-yl)butanoic acid

Systemtic Name: 4-(5-methyl-1,3-benzothiazol-2-yl)butanoic acid Openeye Name: 4-(5-methyl-1,3-benzothiazol-2-yl)butanoic acid CAS Name: 4-(5-methyl-1,3-benzothiazol-2-yl)butanoic acid IUPAC Name: 4-(5-methyl-1,3-benzothiazol-2-yl)butanoic acid Traditional Name: 4-(5-methyl-1,3-benzothiazol-2-yl)butyric acid Formula: C12H13NO2S MolecularWeight: 235.30212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=N2)CCCC(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=N2)CCCC(=O)O

InChI

InChI=1S/C12H13NO2S/c1-8-5-6-10-9(7-8)13-11(16-10)3-2-4-12(14)15/h5-7H,2-4H2,1H3,(H,14,15)