2-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[4-(methylthio)-1,3-benzothiazol-2-yl]-4-oxobutanoic acid IUPAC Name: 2-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-[4-(methylthio)-1,3-benzothiazol-2-yl]butyric acid Formula: C12H11NO3S3 MolecularWeight: 313.41564

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1N=C(S2)C(CC(=O)S)C(=O)O

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C12H11NO3S3/c1-18-7-3-2-4-8-10(7)13-11(19-8)6(12(15)16)5-9(14)17/h2-4,6H,5H2,1H3,(H,14,17)(H,15,16)