2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-sulfanyl-propanoic acid

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-3-oxidanylidene-3-sulfanyl-propanoic acid Openeye Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-sulfanyl-propanoic acid CAS Name: 2-(1,3-benzothiazol-2-yl)-3-mercapto-3-oxopropanoic acid IUPAC Name: 2-(1,3-benzothiazol-2-yl)-3-oxo-3-sulfanylpropanoic acid Traditional Name: 2-(1,3-benzothiazol-2-yl)-3-keto-3-mercapto-propionic acid Formula: C10H7NO3S2 MolecularWeight: 253.29748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(C(=O)O)C(=O)S

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C(C(=O)O)C(=O)S

InChI

InChI=1S/C10H7NO3S2/c12-9(13)7(10(14)15)8-11-5-3-1-2-4-6(5)16-8/h1-4,7H,(H,12,13)(H,14,15)