[(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [(2S)-1-[(4-ethylphenyl)amino]-1-oxidanylidene-propan-2-yl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [(1S)-2-(4-ethylanilino)-1-methyl-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-(4-ethylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-ethylanilino)-1-oxopropan-2-yl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [(1S)-2-(4-ethylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O4S/c1-5-15-8-10-16(11-9-15)22-19(24)14(4)27-21(26)18(13(2)3)23-20(25)17-7-6-12-28-17/h6-14,18H,5H2,1-4H3,(H,22,24)(H,23,25)/t14-,18-/m0/s1