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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-4-sulfanyl-butanoic acid CAS Name: 3-(1,3-benzothiazol-2-yl)-4-mercapto-2,2-dimethyl-4-oxobutanoic acid IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,2-dimethyl-4-oxo-4-sulfanylbutanoic acid Traditional Name: 3-(1,3-benzothiazol-2-yl)-4-keto-4-mercapto-2,2-dimethyl-butyric acid Formula: C13H13NO3S2 MolecularWeight: 295.37722

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1=NC2=CC=CC=C2S1)C(=O)S)C(=O)O

Isomeric SMILES

CC(C)(C(C1=NC2=CC=CC=C2S1)C(=O)S)C(=O)O

InChI

InChI=1S/C13H13NO3S2/c1-13(2,12(16)17)9(11(15)18)10-14-7-5-3-4-6-8(7)19-10/h3-6,9H,1-2H3,(H,15,18)(H,16,17)