ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoyl]-methylsulfonyl-amino]benzoate

Systemtic Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxidanylidene-butanoyl]-methylsulfonyl-amino]benzoate Openeye Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-butanoyl]-methylsulfonyl-amino]benzoate CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,4-dioxobutyl]-methylsulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanoyl]-methylsulfonylamino]benzoate Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-keto-butanoyl]-mesyl-amino]benzoic acid ethyl ester Formula: C22H23NO8S MolecularWeight: 461.48492

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)N(C(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)S(=O)(=O)C

InChI

InChI=1S/C22H23NO8S/c1-3-29-22(26)16-5-4-6-17(13-16)23(32(2,27)28)21(25)10-8-18(24)15-7-9-19-20(14-15)31-12-11-30-19/h4-7,9,13-14H,3,8,10-12H2,1-2H3