(phenylmethyl) 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: (phenylmethyl) 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: benzyl 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[(1-oxo-2-thiophen-2-ylethyl)amino]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid benzyl ester Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CC3=CC=CS3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=CC=CC=C2)NC(=O)CC3=CC=CS3)OC

InChI

InChI=1S/C22H21NO5S/c1-26-19-12-17(22(25)28-14-15-7-4-3-5-8-15)18(13-20(19)27-2)23-21(24)11-16-9-6-10-29-16/h3-10,12-13H,11,14H2,1-2H3,(H,23,24)