2-[[3-(carboxymethylsulfanyl)-4-cyano-1,2-thiazol-5-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[3-(carboxymethylsulfanyl)-4-cyano-1,2-thiazol-5-yl]sulfanyl]ethanoic acid Openeye Name: 2-[3-(carboxymethylsulfanyl)-4-cyano-isothiazol-5-yl]sulfanylacetic acid CAS Name: 2-[[3-(carboxymethylthio)-4-cyano-5-isothiazolyl]thio]acetic acid IUPAC Name: 2-[[3-(carboxymethylsulfanyl)-4-cyano-1,2-thiazol-5-yl]sulfanyl]acetic acid Traditional Name: 2-[[3-(carboxymethylthio)-4-cyano-isothiazol-5-yl]thio]acetic acid Formula: C8H6N2O4S3 MolecularWeight: 290.33924

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Descriptors Computed from Structure

Canonical SMILES:

C(C(=O)O)SC1=C(C(=NS1)SCC(=O)O)C#N

Isomeric SMILES

C(C(=O)O)SC1=C(C(=NS1)SCC(=O)O)C#N

InChI

InChI=1S/C8H6N2O4S3/c9-1-4-7(15-2-5(11)12)10-17-8(4)16-3-6(13)14/h2-3H2,(H,11,12)(H,13,14)