[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: (2S)-3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-oxo-2-(2-propan-2-ylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2-propan-2-ylanilino)ethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-(2-isopropylanilino)-2-keto-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C21H26N2O4S/c1-13(2)15-8-5-6-9-16(15)22-18(24)12-27-21(26)19(14(3)4)23-20(25)17-10-7-11-28-17/h5-11,13-14,19H,12H2,1-4H3,(H,22,24)(H,23,25)/t19-/m0/s1