[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butanoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)butyric acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H23NO7S2 MolecularWeight: 465.53982

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CCCNS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H23NO7S2/c1-30-16-6-4-15(5-7-16)18(23)14-29-21(24)3-2-10-22-31(25,26)17-8-9-19-20(13-17)28-12-11-27-19/h4-9,13,22H,2-3,10-12,14H2,1H3