4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxidanylidene-butanoate

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxidanylidene-butanoate Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxo-butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)oxy-2,3-dimethyl-4-oxobutanoate IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyloxy)-2,3-dimethyl-4-oxobutanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)oxy-4-keto-2,3-dimethyl-butyrate Formula: C13H12NO4S2- MolecularWeight: 310.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)C(=O)OSC1=NC2=CC=CC=C2S1)C(=O)[O-]

Isomeric SMILES

CC(C(C)C(=O)OSC1=NC2=CC=CC=C2S1)C(=O)[O-]

InChI

InChI=1S/C13H13NO4S2/c1-7(11(15)16)8(2)12(17)18-20-13-14-9-5-3-4-6-10(9)19-13/h3-8H,1-2H3,(H,15,16)/p-1