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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanoate Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C18H26N2O7S MolecularWeight: 414.47324

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CC(C)(C)NC(=O)COC(=O)CCNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C18H26N2O7S/c1-18(2,3)20-16(21)12-27-17(22)7-8-19-28(23,24)13-5-6-14-15(11-13)26-10-4-9-25-14/h5-6,11,19H,4,7-10,12H2,1-3H3,(H,20,21)