[2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate

Systemtic Name: [2-(3-methylbutylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-(isopentylamino)-2-oxo-ethyl] 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 [2-(3-methylbutylamino)-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylamino)-2-oxoethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid [2-(isoamylamino)-2-keto-ethyl] ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O6S/c1-14(2)7-8-23-21(26)13-30-22(27)16-11-18(28-3)19(29-4)12-17(16)24-20(25)10-15-6-5-9-31-15/h5-6,9,11-12,14H,7-8,10,13H2,1-4H3,(H,23,26)(H,24,25)