2-(4-cyano-3-methoxy-1,2-thiazol-5-yl)ethanethioic S-acid

Systemtic Name: 2-(4-cyano-3-methoxy-1,2-thiazol-5-yl)ethanethioic S-acid Openeye Name: 2-(4-cyano-3-methoxy-isothiazol-5-yl)ethanethioic S-acid CAS Name: 2-(4-cyano-3-methoxy-5-isothiazolyl)ethanethioic S-acid IUPAC Name: 2-(4-cyano-3-methoxy-1,2-thiazol-5-yl)ethanethioic S-acid Traditional Name: 2-(4-cyano-3-methoxy-isothiazol-5-yl)thioacetic acid Formula: C7H6N2O2S2 MolecularWeight: 214.26474

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NSC(=C1C#N)CC(=O)S

Isomeric SMILES

COC1=NSC(=C1C#N)CC(=O)S

InChI

InChI=1S/C7H6N2O2S2/c1-11-7-4(3-8)5(13-9-7)2-6(10)12/h2H2,1H3,(H,10,12)