[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-(thiophen-2-ylcarbonylamino)butanoate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate CAS Name: 3-methyl-2-[[oxo(thiophen-2-yl)methyl]amino]butanoic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 3-methyl-2-(thiophene-2-carbonylamino)butanoate Traditional Name: 3-methyl-2-(2-thenoylamino)butyric acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-12(2)19(22-20(24)18-7-6-8-27-18)21(25)26-11-17(23)16-10-14(4)13(3)9-15(16)5/h6-10,12,19H,11H2,1-5H3,(H,22,24)