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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] (2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(methylamino)-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-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-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-keto-2-(methylamino)ethyl] ester Formula: C15H20N2O7S MolecularWeight: 372.3935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7S/c1-10(15(19)24-9-14(18)16-2)17-25(20,21)11-4-5-12-13(8-11)23-7-3-6-22-12/h4-5,8,10,17H,3,6-7,9H2,1-2H3,(H,16,18)/t10-/m0/s1