2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(6-azanyl-1,3-benzothiazol-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetic acid CAS Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetic acid IUPAC Name: 2-[(6-amino-1,3-benzothiazol-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-amino-1,3-benzothiazol-2-yl)thio]acetic acid Formula: C9H8N2O2S2 MolecularWeight: 240.30202

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N)SC(=N2)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1N)SC(=N2)SCC(=O)O

InChI

InChI=1S/C9H8N2O2S2/c10-5-1-2-6-7(3-5)15-9(11-6)14-4-8(12)13/h1-3H,4,10H2,(H,12,13)