[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate

Systemtic Name: [2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Openeye Name: [2-(2,4-dimethylphenyl)-2-oxo-ethyl] (2R)-3-methyl-2-(2-thienylsulfonylamino)butanoate CAS Name: (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoic acid [2-(2,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-dimethylphenyl)-2-oxoethyl] (2R)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanoate Traditional Name: (2R)-3-methyl-2-(2-thienylsulfonylamino)butyric acid [2-(2,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H23NO5S2 MolecularWeight: 409.51962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23NO5S2/c1-12(2)18(20-27(23,24)17-6-5-9-26-17)19(22)25-11-16(21)15-8-7-13(3)10-14(15)4/h5-10,12,18,20H,11H2,1-4H3/t18-/m1/s1