2-[1-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrazol-5-yl]propanoic acid

Systemtic Name: 2-[1-(1,3-benzothiazol-2-yl)-1,2,3,4-tetrazol-5-yl]propanoic acid Openeye Name: 2-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]propanoic acid CAS Name: 2-[1-(1,3-benzothiazol-2-yl)-5-tetrazolyl]propanoic acid IUPAC Name: 2-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]propanoic acid Traditional Name: 2-[1-(1,3-benzothiazol-2-yl)tetrazol-5-yl]propionic acid Formula: C11H9N5O2S MolecularWeight: 275.28646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=NN1C2=NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

CC(C1=NN=NN1C2=NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C11H9N5O2S/c1-6(10(17)18)9-13-14-15-16(9)11-12-7-4-2-3-5-8(7)19-11/h2-6H,1H3,(H,17,18)