[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoate Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)hexanoic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C20H22ClNO7S2 MolecularWeight: 487.97418

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)S(=O)(=O)NCCCCCC(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C20H22ClNO7S2/c21-19-8-7-18(30-19)15(23)13-29-20(24)4-2-1-3-9-22-31(25,26)14-5-6-16-17(12-14)28-11-10-27-16/h5-8,12,22H,1-4,9-11,13H2