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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO2S/c1-8(7-12(14)15)6-11-13-9-4-2-3-5-10(9)16-11/h2-5,8H,6-7H2,1H3,(H,14,15)