[(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [(2S)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [(1S)-1-methyl-2-(2-nitroanilino)-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 [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-nitroanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [(1S)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H21N3O6S MolecularWeight: 419.45154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C(=O)NC1=CC=CC=C1[N+](=O)[O-])NC(=O)C2=CC=CS2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C19H21N3O6S/c1-11(2)16(21-18(24)15-9-6-10-29-15)19(25)28-12(3)17(23)20-13-7-4-5-8-14(13)22(26)27/h4-12,16H,1-3H3,(H,20,23)(H,21,24)/t12-,16-/m0/s1