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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-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-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 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-(carbethoxyamino)-2-keto-ethyl] ester Formula: C16H20N2O9S MolecularWeight: 416.403

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)CNS(=O)(=O)C1=CC2=C(C=C1)OCCCO2

InChI

InChI=1S/C16H20N2O9S/c1-2-24-16(21)18-14(19)10-27-15(20)9-17-28(22,23)11-4-5-12-13(8-11)26-7-3-6-25-12/h4-5,8,17H,2-3,6-7,9-10H2,1H3,(H,18,19,21)