(2S)-2-(1,3-benzothiazol-2-yl)-2-oxidanyl-ethanethioic S-acid

Systemtic Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-oxidanyl-ethanethioic S-acid Openeye Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-hydroxy-ethanethioic S-acid CAS Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-hydroxyethanethioic S-acid IUPAC Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-hydroxyethanethioic S-acid Traditional Name: (2S)-2-(1,3-benzothiazol-2-yl)-2-hydroxy-thioacetic acid Formula: C9H7NO2S2 MolecularWeight: 225.28738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)[C@@H](C(=O)S)O

InChI

InChI=1S/C9H7NO2S2/c11-7(9(12)13)8-10-5-3-1-2-4-6(5)14-8/h1-4,7,11H,(H,12,13)/t7-/m0/s1