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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-(butylamino)-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-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-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-(butylamino)-2-keto-ethyl] ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-4-5-8-22-20(25)13-29-21(26)15-11-17(27-2)18(28-3)12-16(15)23-19(24)10-14-7-6-9-30-14/h6-7,9,11-12H,4-5,8,10,13H2,1-3H3,(H,22,25)(H,23,24)