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

Systemtic Name: 2-[3-(1,3-benzothiazol-2-yl)propanoyl-methyl-amino]ethanoic acid Openeye Name: 2-[3-(1,3-benzothiazol-2-yl)propanoyl-methyl-amino]acetic acid CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]-methylamino]acetic acid IUPAC Name: 2-[3-(1,3-benzothiazol-2-yl)propanoyl-methylamino]acetic acid Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)propanoyl-methyl-amino]acetic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CN(CC(=O)O)C(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S/c1-15(8-13(17)18)12(16)7-6-11-14-9-4-2-3-5-10(9)19-11/h2-5H,6-8H2,1H3,(H,17,18)