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

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)-3-methyl-butanoate Openeye Name: (2-amino-2-oxo-ethyl) (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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (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-amino-2-keto-ethyl) ester Formula: C15H20N2O7S MolecularWeight: 372.3935

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7S/c1-9(2)14(15(19)24-8-13(16)18)17-25(20,21)10-3-4-11-12(7-10)23-6-5-22-11/h3-4,7,9,14,17H,5-6,8H2,1-2H3,(H2,16,18)/t14-/m0/s1