3-[1,3-benzothiazol-2-yl(methyl)amino]propanoic acid

Systemtic Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]propanoic acid Openeye Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]propanoic acid CAS Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]propanoic acid IUPAC Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]propanoic acid Traditional Name: 3-[1,3-benzothiazol-2-yl(methyl)amino]propionic acid Formula: C11H12N2O2S MolecularWeight: 236.29018

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC(=O)O)C1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CCC(=O)O)C1=NC2=CC=CC=C2S1

InChI

InChI=1S/C11H12N2O2S/c1-13(7-6-10(14)15)11-12-8-4-2-3-5-9(8)16-11/h2-5H,6-7H2,1H3,(H,14,15)