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

Systemtic Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]propanoic acid Openeye Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]propanoic acid CAS Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]propanoic acid IUPAC Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]propanoic acid Traditional Name: 3-[1-(1,3-benzothiazol-2-yl)ethylamino]propionic acid Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)NCCC(=O)O

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)NCCC(=O)O

InChI

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