4-oxidanylidene-4-[[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]sulfanyloxy]butanoate

Systemtic Name: 4-oxidanylidene-4-[[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]sulfanyloxy]butanoate Openeye Name: 4-oxo-4-[[6-(1,1,3,3-tetramethylbutyl)-1,3-benzothiazol-2-yl]sulfanyloxy]butanoate CAS Name: 4-oxo-4-[[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]thio]oxybutanoate IUPAC Name: 4-oxo-4-[[6-(2,4,4-trimethylpentan-2-yl)-1,3-benzothiazol-2-yl]sulfanyloxy]butanoate Traditional Name: 4-keto-4-[[6-(1,1,3,3-tetramethylbutyl)-1,3-benzothiazol-2-yl]thio]oxy-butyrate Formula: C19H24NO4S2- MolecularWeight: 394.52816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)N=C(S2)SOC(=O)CCC(=O)[O-]

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC2=C(C=C1)N=C(S2)SOC(=O)CCC(=O)[O-]

InChI

InChI=1S/C19H25NO4S2/c1-18(2,3)11-19(4,5)12-6-7-13-14(10-12)25-17(20-13)26-24-16(23)9-8-15(21)22/h6-7,10H,8-9,11H2,1-5H3,(H,21,22)/p-1