3-(1,3-benzothiazol-6-ylcarbonylamino)propanoic acid

Systemtic Name: 3-(1,3-benzothiazol-6-ylcarbonylamino)propanoic acid Openeye Name: 3-(1,3-benzothiazole-6-carbonylamino)propanoic acid CAS Name: 3-[[1,3-benzothiazol-6-yl(oxo)methyl]amino]propanoic acid IUPAC Name: 3-(1,3-benzothiazole-6-carbonylamino)propanoic acid Traditional Name: 3-(1,3-benzothiazole-6-carbonylamino)propionic acid Formula: C11H10N2O3S MolecularWeight: 250.2737

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1C(=O)NCCC(=O)O)SC=N2

Isomeric SMILES

C1=CC2=C(C=C1C(=O)NCCC(=O)O)SC=N2

InChI

InChI=1S/C11H10N2O3S/c14-10(15)3-4-12-11(16)7-1-2-8-9(5-7)17-6-13-8/h1-2,5-6H,3-4H2,(H,12,16)(H,14,15)