[2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-[(2,6-diethylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2,6-diethylanilino)-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-(2,6-diethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,6-diethylanilino)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-(2,6-diethylanilino)-2-keto-ethyl] ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C22H28N2O4S/c1-5-15-9-7-10-16(6-2)20(15)23-18(25)13-28-22(27)19(14(3)4)24-21(26)17-11-8-12-29-17/h7-12,14,19H,5-6,13H2,1-4H3,(H,23,25)(H,24,26)/t19-/m0/s1