[2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-oxo-2-(1,1,3,3-tetramethylbutylamino)ethyl] 4-(thiophene-2-carbonylamino)benzoate CAS Name: 4-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,4-trimethylpentan-2-ylamino)ethyl] 4-(thiophene-2-carbonylamino)benzoate Traditional Name: 4-(2-thenoylamino)benzoic acid [2-keto-2-(1,1,3,3-tetramethylbutylamino)ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N2O4S/c1-21(2,3)14-22(4,5)24-18(25)13-28-20(27)15-8-10-16(11-9-15)23-19(26)17-7-6-12-29-17/h6-12H,13-14H2,1-5H3,(H,23,26)(H,24,25)