[2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylcarbonylamino)ethyl] (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid [2-oxo-2-[[oxo(thiophen-2-yl)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(thiophene-2-carbonylamino)ethyl] (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid [2-keto-2-(2-thenoylamino)ethyl] ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC(=O)NC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC(=O)NC(=O)C2=CC=CS2

InChI

InChI=1S/C20H22N2O5S/c1-12(2)17(22-18(24)14-8-5-4-7-13(14)3)20(26)27-11-16(23)21-19(25)15-9-6-10-28-15/h4-10,12,17H,11H2,1-3H3,(H,22,24)(H,21,23,25)/t17-/m0/s1