2-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxobutanoic acid IUPAC Name: 2-(6-methylsulfonyl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-(6-mesyl-1,3-benzothiazol-2-yl)butyric acid Formula: C12H11NO5S3 MolecularWeight: 345.41444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11NO5S3/c1-21(17,18)6-2-3-8-9(4-6)20-11(13-8)7(12(15)16)5-10(14)19/h2-4,7H,5H2,1H3,(H,14,19)(H,15,16)