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

Systemtic Name: 2-(1,2-benzothiazol-3-ylamino)ethanoic acid Openeye Name: 2-(1,2-benzothiazol-3-ylamino)acetic acid CAS Name: 2-(1,2-benzothiazol-3-ylamino)acetic acid IUPAC Name: 2-(1,2-benzothiazol-3-ylamino)acetic acid Traditional Name: 2-(1,2-benzothiazol-3-ylamino)acetic acid Formula: C9H8N2O2S MolecularWeight: 208.23702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8N2O2S/c12-8(13)5-10-9-6-3-1-2-4-7(6)14-11-9/h1-4H,5H2,(H,10,11)(H,12,13)