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

Systemtic Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propanoic acid Openeye Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propanoic acid CAS Name: 3-[[3-(1,3-benzothiazol-2-yl)-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propanoic acid Traditional Name: 3-[3-(1,3-benzothiazol-2-yl)propanoylamino]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3S/c16-11(14-8-7-13(17)18)5-6-12-15-9-3-1-2-4-10(9)19-12/h1-4H,5-8H2,(H,14,16)(H,17,18)