3-(1,2-benzothiazol-3-ylamino)propanoic acid

Systemtic Name: 3-(1,2-benzothiazol-3-ylamino)propanoic acid Openeye Name: 3-(1,2-benzothiazol-3-ylamino)propanoic acid CAS Name: 3-(1,2-benzothiazol-3-ylamino)propanoic acid IUPAC Name: 3-(1,2-benzothiazol-3-ylamino)propanoic acid Traditional Name: 3-(1,2-benzothiazol-3-ylamino)propionic acid Formula: C10H10N2O2S MolecularWeight: 222.2636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NS2)NCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NS2)NCCC(=O)O

InChI

InChI=1S/C10H10N2O2S/c13-9(14)5-6-11-10-7-3-1-2-4-8(7)15-12-10/h1-4H,5-6H2,(H,11,12)(H,13,14)