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

Systemtic Name: [2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: [2-(isoxazol-3-ylamino)-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-(3-isoxazolylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,2-oxazol-3-ylamino)-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-(isoxazol-3-ylamino)-2-keto-ethyl] ester Formula: C16H17N3O8S MolecularWeight: 411.38648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC(=O)NC3=NOC=C3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC(=O)NC3=NOC=C3)OC1

InChI

InChI=1S/C16H17N3O8S/c20-15(18-14-4-7-27-19-14)10-26-16(21)9-17-28(22,23)11-2-3-12-13(8-11)25-6-1-5-24-12/h2-4,7-8,17H,1,5-6,9-10H2,(H,18,19,20)