[2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-[4-(propanoylamino)phenyl]ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-oxo-2-[4-(propanoylamino)phenyl]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-[4-(1-oxopropylamino)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[4-(propanoylamino)phenyl]ethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(4-propionamidophenyl)ethyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C21H24N2O5S/c1-4-18(25)22-15-9-7-14(8-10-15)16(24)12-28-21(27)19(13(2)3)23-20(26)17-6-5-11-29-17/h5-11,13,19H,4,12H2,1-3H3,(H,22,25)(H,23,26)/t19-/m0/s1