2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate

Systemtic Name: 2-(2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioate Openeye Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate CAS Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate IUPAC Name: 2-(2-oxo-1,3-benzothiazol-3-yl)ethanethioate Traditional Name: 2-(2-keto-1,3-benzothiazol-3-yl)thioacetate Formula: C9H6NO2S2- MolecularWeight: 224.27944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H7NO2S2/c11-8(13)5-10-6-3-1-2-4-7(6)14-9(10)12/h1-4H,5H2,(H,11,13)/p-1