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

Systemtic Name: 3-[1,3-benzothiazol-2-yl(2-carboxyethyl)amino]propanoic acid Openeye Name: 3-[1,3-benzothiazol-2-yl(2-carboxyethyl)amino]propanoic acid CAS Name: 3-[1,3-benzothiazol-2-yl(2-carboxyethyl)amino]propanoic acid IUPAC Name: 3-[1,3-benzothiazol-2-yl(2-carboxyethyl)amino]propanoic acid Traditional Name: 3-[1,3-benzothiazol-2-yl(2-carboxyethyl)amino]propionic acid Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N(CCC(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N(CCC(=O)O)CCC(=O)O

InChI

InChI=1S/C13H14N2O4S/c16-11(17)5-7-15(8-6-12(18)19)13-14-9-3-1-2-4-10(9)20-13/h1-4H,5-8H2,(H,16,17)(H,18,19)