2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioic S-acid

Systemtic Name: 2-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)ethanethioic S-acid Openeye Name: 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)ethanethioic S-acid CAS Name: 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)ethanethioic S-acid IUPAC Name: 2-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)ethanethioic S-acid Traditional Name: 2-(5-chloro-2-keto-1,3-benzothiazol-3-yl)thioacetic acid Formula: C9H6ClNO2S2 MolecularWeight: 259.73244

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N(C(=O)S2)CC(=O)S

Isomeric SMILES

C1=CC2=C(C=C1Cl)N(C(=O)S2)CC(=O)S

InChI

InChI=1S/C9H6ClNO2S2/c10-5-1-2-7-6(3-5)11(4-8(12)14)9(13)15-7/h1-3H,4H2,(H,12,14)