[2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] (2S)-3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-(2,5-dimethylphenyl)-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-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] (2S)-3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: (2S)-3-methyl-2-(2-thenoylamino)butyric acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C20H23NO4S MolecularWeight: 373.46592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)C(C(C)C)NC(=O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)[C@H](C(C)C)NC(=O)C2=CC=CS2

InChI

InChI=1S/C20H23NO4S/c1-12(2)18(21-19(23)17-6-5-9-26-17)20(24)25-11-16(22)15-10-13(3)7-8-14(15)4/h5-10,12,18H,11H2,1-4H3,(H,21,23)/t18-/m0/s1