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

Systemtic Name: [2-(5-ethylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Openeye Name: [2-(5-ethyl-2-thienyl)-2-oxo-ethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(5-ethyl-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-ethylthiophen-2-yl)-2-oxoethyl] 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoate Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonylamino)benzoic acid [2-(5-ethyl-2-thienyl)-2-keto-ethyl] ester Formula: C23H21NO7S2 MolecularWeight: 487.54534

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCC1=CC=C(S1)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H21NO7S2/c1-2-17-7-10-22(32-17)19(25)14-31-23(26)15-3-5-16(6-4-15)24-33(27,28)18-8-9-20-21(13-18)30-12-11-29-20/h3-10,13,24H,2,11-12,14H2,1H3