[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] 3-[(4-tert-butylphenyl)carbonylamino]propanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate CAS Name: 3-[[(4-tert-butylphenyl)-oxomethyl]amino]propanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] 3-[(4-tert-butylbenzoyl)amino]propanoate Traditional Name: 3-[(4-tert-butylbenzoyl)amino]propionic acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC(=O)C2=CC=CS2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)OCC(=O)NC(=O)C2=CC=CS2

InChI

InChI=1S/C21H24N2O5S/c1-21(2,3)15-8-6-14(7-9-15)19(26)22-11-10-18(25)28-13-17(24)23-20(27)16-5-4-12-29-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,26)(H,23,24,27)