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

Systemtic Name: 4-[1,3-benzothiazol-2-yl(methyl)amino]butanoic acid Openeye Name: 4-[1,3-benzothiazol-2-yl(methyl)amino]butanoic acid CAS Name: 4-[1,3-benzothiazol-2-yl(methyl)amino]butanoic acid IUPAC Name: 4-[1,3-benzothiazol-2-yl(methyl)amino]butanoic acid Traditional Name: 4-[1,3-benzothiazol-2-yl(methyl)amino]butyric acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O2S/c1-14(8-4-7-11(15)16)12-13-9-5-2-3-6-10(9)17-12/h2-3,5-6H,4,7-8H2,1H3,(H,15,16)