[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)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-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] (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-keto-2-(propargylamino)ethyl] ester Formula: C17H20N2O7S MolecularWeight: 396.4149

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC#C)NS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O7S/c1-3-7-18-16(20)11-26-17(21)12(2)19-27(22,23)13-5-6-14-15(10-13)25-9-4-8-24-14/h1,5-6,10,12,19H,4,7-9,11H2,2H3,(H,18,20)/t12-/m0/s1