methyl (2S)-2-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,3,3-tris(fluoranyl)-2-(thiophen-2-ylcarbonylamino)propanoate

Systemtic Name: methyl (2S)-2-(4,4-dimethyl-2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)-3,3,3-tris(fluoranyl)-2-(thiophen-2-ylcarbonylamino)propanoate Openeye Name: methyl (2S)-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohexen-1-yl)-2-(thiophene-2-carbonylamino)propanoate CAS Name: (2S)-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexenyl)-2-[[oxo(thiophen-2-yl)methyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3,3,3-trifluoro-2-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)-2-(thiophene-2-carbonylamino)propanoate Traditional Name: (2S)-3,3,3-trifluoro-2-(2-hydroxy-6-keto-4,4-dimethyl-cyclohexen-1-yl)-2-(2-thenoylamino)propionic acid methyl ester Formula: C17H18F3NO5S MolecularWeight: 405.38873

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C(C(=O)C1)C(C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CS2)O)C

Isomeric SMILES

CC1(CC(=C(C(=O)C1)[C@](C(=O)OC)(C(F)(F)F)NC(=O)C2=CC=CS2)O)C

InChI

InChI=1S/C17H18F3NO5S/c1-15(2)7-9(22)12(10(23)8-15)16(14(25)26-3,17(18,19)20)21-13(24)11-5-4-6-27-11/h4-6,22H,7-8H2,1-3H3,(H,21,24)/t16-/m0/s1