[2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(3,4,5-trimethoxyphenyl)ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [2-keto-2-(3,4,5-trimethoxyphenyl)ethyl] ester Formula: C22H21NO8S2 MolecularWeight: 491.53404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)COC(=O)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C22H21NO8S2/c1-28-18-11-15(12-19(29-2)21(18)30-3)17(24)13-31-22(25)14-6-8-16(9-7-14)23-33(26,27)20-5-4-10-32-20/h4-12,23H,13H2,1-3H3