[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C22H27N3O7S MolecularWeight: 477.53068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)OC

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1NC(=O)C2=CC=CS2)OC)OC

InChI

InChI=1S/C22H27N3O7S/c1-13(2)7-8-23-22(29)25-19(26)12-32-21(28)14-10-16(30-3)17(31-4)11-15(14)24-20(27)18-6-5-9-33-18/h5-6,9-11,13H,7-8,12H2,1-4H3,(H,24,27)(H2,23,25,26,29)