4-(1,3-benzothiazol-2-ylsulfanyloxy)-3-methyl-4-oxidanylidene-butanoic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-3-methyl-4-oxidanylidene-butanoic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-3-methyl-4-oxo-butanoic acid CAS Name: 4-(1,3-benzothiazol-2-ylthio)oxy-3-methyl-4-oxobutanoic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-3-methyl-4-oxobutanoic acid Traditional Name: 4-(1,3-benzothiazol-2-ylthio)oxy-4-keto-3-methyl-butyric acid Formula: C12H11NO4S2 MolecularWeight: 297.35004

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(CC(=O)O)C(=O)OSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C12H11NO4S2/c1-7(6-10(14)15)11(16)17-19-12-13-8-4-2-3-5-9(8)18-12/h2-5,7H,6H2,1H3,(H,14,15)