(3,3-dimethyl-2-oxidanylidene-butyl) 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 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 (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)CC2=CC=CS2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC(=C(C=C1NC(=O)CC2=CC=CS2)OC)OC

InChI

InChI=1S/C21H25NO6S/c1-21(2,3)18(23)12-28-20(25)14-10-16(26-4)17(27-5)11-15(14)22-19(24)9-13-7-6-8-29-13/h6-8,10-11H,9,12H2,1-5H3,(H,22,24)