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

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate CAS Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methylbutanoate Traditional Name: (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butyric acid (2-keto-3,3-dimethyl-butyl) ester Formula: C19H27NO7S MolecularWeight: 413.48518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C(C)(C)C)NS(=O)(=O)C1=CC2=C(C=C1)OCCO2

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO7S/c1-12(2)17(18(22)27-11-16(21)19(3,4)5)20-28(23,24)13-6-7-14-15(10-13)26-9-8-25-14/h6-7,10,12,17,20H,8-9,11H2,1-5H3/t17-/m0/s1