[2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: [2-[bis(2-methylpropyl)amino]-2-oxidanylidene-ethyl] 3-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: [2-(diisobutylamino)-2-oxo-ethyl] 3-(thiophene-2-carbonylamino)benzoate CAS Name: 3-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid [2-[bis(2-methylpropyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-methylpropyl)amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate Traditional Name: 3-(2-thenoylamino)benzoic acid [2-(diisobutylamino)-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O4S/c1-15(2)12-24(13-16(3)4)20(25)14-28-22(27)17-7-5-8-18(11-17)23-21(26)19-9-6-10-29-19/h5-11,15-16H,12-14H2,1-4H3,(H,23,26)