(3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-4-(methylthio)butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO7S2 MolecularWeight: 445.55018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C(CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)[C@H](CCSC)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

InChI

InChI=1S/C19H27NO7S2/c1-19(2,3)17(21)12-27-18(22)14(7-10-28-4)20-29(23,24)13-5-6-15-16(11-13)26-9-8-25-15/h5-6,11,14,20H,7-10,12H2,1-4H3/t14-/m0/s1