[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C21H19NO7S2 MolecularWeight: 461.50806

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C21H19NO7S2/c1-27-16-9-10-19(28-2)17(12-16)18(23)13-29-21(24)14-5-7-15(8-6-14)22-31(25,26)20-4-3-11-30-20/h3-12,22H,13H2,1-2H3