(2-azanyl-2-oxidanylidene-ethyl) (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: (2-amino-2-oxo-ethyl) (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid (2-amino-2-keto-ethyl) ester Formula: C14H18N2O7S MolecularWeight: 358.36692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)N)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C14H18N2O7S/c1-9(14(18)23-8-13(15)17)16-24(19,20)10-3-4-11-12(7-10)22-6-2-5-21-11/h3-4,7,9,16H,2,5-6,8H2,1H3,(H2,15,17)/t9-/m0/s1