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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4,5-dimethoxy-2-(2-thiophen-2-ylethanoylamino)benzoate Openeye Name: [2-(isopropylcarbamoylamino)-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-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4,5-dimethoxy-2-[(2-thiophen-2-ylacetyl)amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[2-(2-thienyl)acetyl]amino]benzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H25N3O7S MolecularWeight: 463.5041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O7S/c1-12(2)22-21(28)24-19(26)11-31-20(27)14-9-16(29-3)17(30-4)10-15(14)23-18(25)8-13-6-5-7-32-13/h5-7,9-10,12H,8,11H2,1-4H3,(H,23,25)(H2,22,24,26,28)