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

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: [2-(4-methylsulfanylphenyl)-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-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-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-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C20H21NO7S2 MolecularWeight: 451.51324

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO7S2/c1-29-15-5-3-14(4-6-15)17(22)13-28-20(23)12-21-30(24,25)16-7-8-18-19(11-16)27-10-2-9-26-18/h3-8,11,21H,2,9-10,12-13H2,1H3