2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Openeye Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid CAS Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)thio]propanoic acid IUPAC Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)sulfanyl]propanoic acid Traditional Name: 2-[(5-cyano-1,3-benzothiazol-2-yl)thio]propionic acid Formula: C11H8N2O2S2 MolecularWeight: 264.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)C#N

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(S1)C=CC(=C2)C#N

InChI

InChI=1S/C11H8N2O2S2/c1-6(10(14)15)16-11-13-8-4-7(5-12)2-3-9(8)17-11/h2-4,6H,1H3,(H,14,15)