[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C21H22N2O8S MolecularWeight: 462.47298

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)CC3=CC=CC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC(=O)NC(=O)CC3=CC=CC=C3)OC1

InChI

InChI=1S/C21H22N2O8S/c24-19(11-15-5-2-1-3-6-15)23-20(25)14-31-21(26)13-22-32(27,28)16-7-8-17-18(12-16)30-10-4-9-29-17/h1-3,5-8,12,22H,4,9-11,13-14H2,(H,23,24,25)